<?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 Jul 31 2024 16:08:57) complex</scalar>
               </parameter>
               <parameter dictRef="v:platform">
                  <scalar dataType="xsd:string">LinuxIFC</scalar>
               </parameter>
               <parameter dictRef="cc:rundate">
                  <scalar dataType="xsd:date">2025-08-17T03:47:00.000</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <molecule id="initial">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">10.364410710831562</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">10.364412581405663</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</scalar>
                  <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                  <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                  <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
               </crystal>
               <atomArray>
                  <atom elementType="Cu"
                        id="a1"
                        x3="2.61042584"
                        xFract="0.168434"
                        y3="1.5108934"
                        yFract="0.168434"
                        z3="1.27381326"
                        zFract="0.050004"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="3.89871484"
                        xFract="0.168434"
                        y3="3.7534534"
                        yFract="0.418434"
                        z3="1.43209026"
                        zFract="0.050004"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="5.19668984"
                        xFract="0.418434"
                        y3="1.5108934"
                        yFract="0.168434"
                        z3="1.43209026"
                        zFract="0.050004"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="6.48497884"
                        xFract="0.418434"
                        y3="3.7534534"
                        yFract="0.418434"
                        z3="1.59036726"
                        zFract="0.050004"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="3.77278399"
                        xFract="0.2434335"
                        y3="2.18365692"
                        yFract="0.2434335"
                        z3="3.48968803"
                        zFract="0.150004"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="5.06107299"
                        xFract="0.2434335"
                        y3="4.42621692"
                        yFract="0.4934335"
                        z3="3.64796503"
                        zFract="0.150004"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="6.35904799"
                        xFract="0.4934335"
                        y3="2.18365692"
                        yFract="0.2434335"
                        z3="3.64796503"
                        zFract="0.150004"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="7.64733699"
                        xFract="0.4934335"
                        y3="4.42621692"
                        yFract="0.4934335"
                        z3="3.80624203"
                        zFract="0.150004"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="1.0575948"
                        xFract="0.06963546"
                        y3="0.5869943"
                        yFract="0.06543797"
                        z3="5.35584436"
                        zFract="0.24849382"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="3.64385934"
                        xFract="0.31943912"
                        y3="0.5905309"
                        yFract="0.06583223"
                        z3="5.51043857"
                        zFract="0.24831427"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="2.34478457"
                        xFract="0.06815205"
                        y3="2.85435396"
                        yFract="0.31820263"
                        z3="5.53073733"
                        zFract="0.24923901"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="4.93253391"
                        xFract="0.31830752"
                        y3="2.85413984"
                        yFract="0.31817876"
                        z3="5.68926859"
                        zFract="0.24924707"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="2.21826938"
                        xFract="0.14420185"
                        y3="1.26462659"
                        yFract="0.14098024"
                        z3="7.49006716"
                        zFract="0.34464069"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="4.80972628"
                        xFract="0.39471954"
                        y3="1.26434349"
                        yFract="0.14094868"
                        z3="7.64856774"
                        zFract="0.34463672"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="3.50262303"
                        xFract="0.14395074"
                        y3="3.50485818"
                        yFract="0.39072067"
                        z3="7.7472444"
                        zFract="0.34931904"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="6.08851738"
                        xFract="0.39354468"
                        y3="3.51152702"
                        yFract="0.39146411"
                        z3="7.90724106"
                        zFract="0.34939005"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="5.18700384"
                        xFract="0.168434"
                        y3="5.9960134"
                        yFract="0.668434"
                        z3="1.59036726"
                        zFract="0.050004"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="6.47529284"
                        xFract="0.168434"
                        y3="8.2385734"
                        yFract="0.918434"
                        z3="1.74864426"
                        zFract="0.050004"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="7.77326784"
                        xFract="0.418434"
                        y3="5.9960134"
                        yFract="0.668434"
                        z3="1.74864426"
                        zFract="0.050004"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="9.06155684"
                        xFract="0.418434"
                        y3="8.2385734"
                        yFract="0.918434"
                        z3="1.90692126"
                        zFract="0.050004"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="6.34936199"
                        xFract="0.2434335"
                        y3="6.66877692"
                        yFract="0.7434335"
                        z3="3.80624203"
                        zFract="0.150004"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="7.63765099"
                        xFract="0.2434335"
                        y3="8.91133692"
                        yFract="0.9934335"
                        z3="3.96451903"
                        zFract="0.150004"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="8.93562599"
                        xFract="0.4934335"
                        y3="6.66877692"
                        yFract="0.7434335"
                        z3="3.96451903"
                        zFract="0.150004"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="10.22391499"
                        xFract="0.4934335"
                        y3="8.91133692"
                        yFract="0.9934335"
                        z3="4.12279603"
                        zFract="0.150004"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="3.6341728"
                        xFract="0.06963546"
                        y3="5.0721143"
                        yFract="0.56543797"
                        z3="5.67239836"
                        zFract="0.24849382"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="6.22043734"
                        xFract="0.31943912"
                        y3="5.0756509"
                        yFract="0.56583223"
                        z3="5.82699257"
                        zFract="0.24831427"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="4.92136257"
                        xFract="0.06815205"
                        y3="7.33947396"
                        yFract="0.81820263"
                        z3="5.84729133"
                        zFract="0.24923901"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="7.50911191"
                        xFract="0.31830752"
                        y3="7.33925984"
                        yFract="0.81817876"
                        z3="6.00582259"
                        zFract="0.24924707"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="4.79484738"
                        xFract="0.14420185"
                        y3="5.74974659"
                        yFract="0.64098024"
                        z3="7.80662116"
                        zFract="0.34464069"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="7.38630428"
                        xFract="0.39471954"
                        y3="5.74946349"
                        yFract="0.64094868"
                        z3="7.96512174"
                        zFract="0.34463672"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="6.07920103"
                        xFract="0.14395074"
                        y3="7.98997818"
                        yFract="0.89072067"
                        z3="8.0637984"
                        zFract="0.34931904"/>
                  <atom elementType="Cu"
                        id="a32"
                        x3="8.66509538"
                        xFract="0.39354468"
                        y3="7.99664702"
                        yFract="0.89146411"
                        z3="8.22379506"
                        zFract="0.34939005"/>
                  <atom elementType="Cu"
                        id="a33"
                        x3="7.78295384"
                        xFract="0.668434"
                        y3="1.5108934"
                        yFract="0.168434"
                        z3="1.59036726"
                        zFract="0.050004"/>
                  <atom elementType="Cu"
                        id="a34"
                        x3="9.07124284"
                        xFract="0.668434"
                        y3="3.7534534"
                        yFract="0.418434"
                        z3="1.74864426"
                        zFract="0.050004"/>
                  <atom elementType="Cu"
                        id="a35"
                        x3="10.36921784"
                        xFract="0.918434"
                        y3="1.5108934"
                        yFract="0.168434"
                        z3="1.74864426"
                        zFract="0.050004"/>
                  <atom elementType="Cu"
                        id="a36"
                        x3="11.65750684"
                        xFract="0.918434"
                        y3="3.7534534"
                        yFract="0.418434"
                        z3="1.90692126"
                        zFract="0.050004"/>
                  <atom elementType="Cu"
                        id="a37"
                        x3="8.94531199"
                        xFract="0.7434335"
                        y3="2.18365692"
                        yFract="0.2434335"
                        z3="3.80624203"
                        zFract="0.150004"/>
                  <atom elementType="Cu"
                        id="a38"
                        x3="10.23360099"
                        xFract="0.7434335"
                        y3="4.42621692"
                        yFract="0.4934335"
                        z3="3.96451903"
                        zFract="0.150004"/>
                  <atom elementType="Cu"
                        id="a39"
                        x3="11.53157599"
                        xFract="0.9934335"
                        y3="2.18365692"
                        yFract="0.2434335"
                        z3="3.96451903"
                        zFract="0.150004"/>
                  <atom elementType="Cu"
                        id="a40"
                        x3="12.81986499"
                        xFract="0.9934335"
                        y3="4.42621692"
                        yFract="0.4934335"
                        z3="4.12279603"
                        zFract="0.150004"/>
                  <atom elementType="Cu"
                        id="a41"
                        x3="6.2301228"
                        xFract="0.56963546"
                        y3="0.5869943"
                        yFract="0.06543797"
                        z3="5.67239836"
                        zFract="0.24849382"/>
                  <atom elementType="Cu"
                        id="a42"
                        x3="8.81638734"
                        xFract="0.81943912"
                        y3="0.5905309"
                        yFract="0.06583223"
                        z3="5.82699257"
                        zFract="0.24831427"/>
                  <atom elementType="Cu"
                        id="a43"
                        x3="7.51731257"
                        xFract="0.56815205"
                        y3="2.85435396"
                        yFract="0.31820263"
                        z3="5.84729133"
                        zFract="0.24923901"/>
                  <atom elementType="Cu"
                        id="a44"
                        x3="10.10506191"
                        xFract="0.81830752"
                        y3="2.85413984"
                        yFract="0.31817876"
                        z3="6.00582259"
                        zFract="0.24924707"/>
                  <atom elementType="Cu"
                        id="a45"
                        x3="7.39079738"
                        xFract="0.64420185"
                        y3="1.26462659"
                        yFract="0.14098024"
                        z3="7.80662116"
                        zFract="0.34464069"/>
                  <atom elementType="Cu"
                        id="a46"
                        x3="9.98225428"
                        xFract="0.89471954"
                        y3="1.26434349"
                        yFract="0.14094868"
                        z3="7.96512174"
                        zFract="0.34463672"/>
                  <atom elementType="Cu"
                        id="a47"
                        x3="8.67515103"
                        xFract="0.64395074"
                        y3="3.50485818"
                        yFract="0.39072067"
                        z3="8.0637984"
                        zFract="0.34931904"/>
                  <atom elementType="Cu"
                        id="a48"
                        x3="11.26104538"
                        xFract="0.89354468"
                        y3="3.51152702"
                        yFract="0.39146411"
                        z3="8.22379506"
                        zFract="0.34939005"/>
                  <atom elementType="Cu"
                        id="a49"
                        x3="10.35953184"
                        xFract="0.668434"
                        y3="5.9960134"
                        yFract="0.668434"
                        z3="1.90692126"
                        zFract="0.050004"/>
                  <atom elementType="Cu"
                        id="a50"
                        x3="11.64782084"
                        xFract="0.668434"
                        y3="8.2385734"
                        yFract="0.918434"
                        z3="2.06519826"
                        zFract="0.050004"/>
                  <atom elementType="Cu"
                        id="a51"
                        x3="12.94579584"
                        xFract="0.918434"
                        y3="5.9960134"
                        yFract="0.668434"
                        z3="2.06519826"
                        zFract="0.050004"/>
                  <atom elementType="Cu"
                        id="a52"
                        x3="14.23408484"
                        xFract="0.918434"
                        y3="8.2385734"
                        yFract="0.918434"
                        z3="2.22347526"
                        zFract="0.050004"/>
                  <atom elementType="Cu"
                        id="a53"
                        x3="11.52188999"
                        xFract="0.7434335"
                        y3="6.66877692"
                        yFract="0.7434335"
                        z3="4.12279603"
                        zFract="0.150004"/>
                  <atom elementType="Cu"
                        id="a54"
                        x3="12.81017899"
                        xFract="0.7434335"
                        y3="8.91133692"
                        yFract="0.9934335"
                        z3="4.28107303"
                        zFract="0.150004"/>
                  <atom elementType="Cu"
                        id="a55"
                        x3="14.10815399"
                        xFract="0.9934335"
                        y3="6.66877692"
                        yFract="0.7434335"
                        z3="4.28107303"
                        zFract="0.150004"/>
                  <atom elementType="Cu"
                        id="a56"
                        x3="15.39644299"
                        xFract="0.9934335"
                        y3="8.91133692"
                        yFract="0.9934335"
                        z3="4.43935003"
                        zFract="0.150004"/>
                  <atom elementType="Cu"
                        id="a57"
                        x3="8.8067008"
                        xFract="0.56963546"
                        y3="5.0721143"
                        yFract="0.56543797"
                        z3="5.98895236"
                        zFract="0.24849382"/>
                  <atom elementType="Cu"
                        id="a58"
                        x3="11.39296534"
                        xFract="0.81943912"
                        y3="5.0756509"
                        yFract="0.56583223"
                        z3="6.14354657"
                        zFract="0.24831427"/>
                  <atom elementType="Cu"
                        id="a59"
                        x3="10.09389057"
                        xFract="0.56815205"
                        y3="7.33947396"
                        yFract="0.81820263"
                        z3="6.16384533"
                        zFract="0.24923901"/>
                  <atom elementType="Cu"
                        id="a60"
                        x3="12.68163991"
                        xFract="0.81830752"
                        y3="7.33925984"
                        yFract="0.81817876"
                        z3="6.32237659"
                        zFract="0.24924707"/>
                  <atom elementType="Cu"
                        id="a61"
                        x3="9.96737538"
                        xFract="0.64420185"
                        y3="5.74974659"
                        yFract="0.64098024"
                        z3="8.12317516"
                        zFract="0.34464069"/>
                  <atom elementType="Cu"
                        id="a62"
                        x3="12.55883228"
                        xFract="0.89471954"
                        y3="5.74946349"
                        yFract="0.64094868"
                        z3="8.28167574"
                        zFract="0.34463672"/>
                  <atom elementType="Cu"
                        id="a63"
                        x3="11.25172903"
                        xFract="0.64395074"
                        y3="7.98997818"
                        yFract="0.89072067"
                        z3="8.3803524"
                        zFract="0.34931904"/>
                  <atom elementType="Cu"
                        id="a64"
                        x3="13.83762338"
                        xFract="0.89354468"
                        y3="7.99664702"
                        yFract="0.89146411"
                        z3="8.54034906"
                        zFract="0.34939005"/>
                  <atom elementType="Br"
                        id="a65"
                        x3="3.33136012"
                        xFract="0.14484762"
                        y3="3.1905852"
                        yFract="0.3556856"
                        z3="10.37741101"
                        zFract="0.47434937"/>
                  <atom elementType="Br"
                        id="a66"
                        x3="5.90793812"
                        xFract="0.14484762"
                        y3="7.6757052"
                        yFract="0.8556856"
                        z3="10.69396501"
                        zFract="0.47434937"/>
                  <atom elementType="Br"
                        id="a67"
                        x3="8.50388812"
                        xFract="0.64484762"
                        y3="3.1905852"
                        yFract="0.3556856"
                        z3="10.69396501"
                        zFract="0.47434937"/>
                  <atom elementType="Br"
                        id="a68"
                        x3="11.09137393"
                        xFract="0.88052545"
                        y3="3.45062456"
                        yFract="0.38467472"
                        z3="10.87057006"
                        zFract="0.47477571"/>
                  <atom elementType="Br"
                        id="a69"
                        x3="11.08046612"
                        xFract="0.64484762"
                        y3="7.6757052"
                        yFract="0.8556856"
                        z3="11.01051901"
                        zFract="0.47434937"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a2" order="S"/>
                  <bond atomRefs2="a1 a5" order="S"/>
                  <bond atomRefs2="a1 a3" order="S"/>
                  <bond atomRefs2="a2 a4" order="S"/>
                  <bond atomRefs2="a2 a6" order="S"/>
                  <bond atomRefs2="a2 a17" order="S"/>
                  <bond atomRefs2="a2 a5" order="S"/>
                  <bond atomRefs2="a2 a3" order="S"/>
                  <bond atomRefs2="a3 a5" order="S"/>
                  <bond atomRefs2="a3 a33" order="S"/>
                  <bond atomRefs2="a3 a7" order="S"/>
                  <bond atomRefs2="a3 a4" order="S"/>
                  <bond atomRefs2="a4 a19" order="S"/>
                  <bond atomRefs2="a4 a8" order="S"/>
                  <bond atomRefs2="a4 a6" order="S"/>
                  <bond atomRefs2="a4 a17" order="S"/>
                  <bond atomRefs2="a4 a33" order="S"/>
                  <bond atomRefs2="a4 a7" order="S"/>
                  <bond atomRefs2="a4 a34" order="S"/>
                  <bond atomRefs2="a5 a7" order="S"/>
                  <bond atomRefs2="a5 a11" order="S"/>
                  <bond atomRefs2="a5 a10" order="S"/>
                  <bond atomRefs2="a5 a12" order="S"/>
                  <bond atomRefs2="a5 a6" order="S"/>
                  <bond atomRefs2="a6 a25" order="S"/>
                  <bond atomRefs2="a6 a21" order="S"/>
                  <bond atomRefs2="a6 a17" order="S"/>
                  <bond atomRefs2="a6 a8" order="S"/>
                  <bond atomRefs2="a6 a26" order="S"/>
                  <bond atomRefs2="a6 a7" order="S"/>
                  <bond atomRefs2="a6 a12" order="S"/>
                  <bond atomRefs2="a7 a41" order="S"/>
                  <bond atomRefs2="a7 a33" order="S"/>
                  <bond atomRefs2="a7 a12" order="S"/>
                  <bond atomRefs2="a7 a43" order="S"/>
                  <bond atomRefs2="a7 a8" order="S"/>
                  <bond atomRefs2="a7 a37" order="S"/>
                  <bond atomRefs2="a8 a19" order="S"/>
                  <bond atomRefs2="a8 a21" order="S"/>
                  <bond atomRefs2="a8 a26" order="S"/>
                  <bond atomRefs2="a8 a43" order="S"/>
                  <bond atomRefs2="a8 a57" order="S"/>
                  <bond atomRefs2="a8 a34" order="S"/>
                  <bond atomRefs2="a8 a38" order="S"/>
                  <bond atomRefs2="a8 a37" order="S"/>
                  <bond atomRefs2="a8 a23" order="S"/>
                  <bond atomRefs2="a9 a10" order="S"/>
                  <bond atomRefs2="a9 a11" order="S"/>
                  <bond atomRefs2="a9 a13" order="S"/>
                  <bond atomRefs2="a10 a41" order="S"/>
                  <bond atomRefs2="a10 a11" order="S"/>
                  <bond atomRefs2="a10 a12" order="S"/>
                  <bond atomRefs2="a10 a14" order="S"/>
                  <bond atomRefs2="a10 a13" order="S"/>
                  <bond atomRefs2="a11 a12" order="S"/>
                  <bond atomRefs2="a11 a13" order="S"/>
                  <bond atomRefs2="a11 a15" order="S"/>
                  <bond atomRefs2="a11 a25" order="S"/>
                  <bond atomRefs2="a12 a41" order="S"/>
                  <bond atomRefs2="a12 a43" order="S"/>
                  <bond atomRefs2="a12 a16" order="S"/>
                  <bond atomRefs2="a12 a14" order="S"/>
                  <bond atomRefs2="a12 a15" order="S"/>
                  <bond atomRefs2="a12 a25" order="S"/>
                  <bond atomRefs2="a12 a26" order="S"/>
                  <bond atomRefs2="a13 a14" order="S"/>
                  <bond atomRefs2="a13 a15" order="S"/>
                  <bond atomRefs2="a14 a41" order="S"/>
                  <bond atomRefs2="a14 a15" order="S"/>
                  <bond atomRefs2="a14 a45" order="S"/>
                  <bond atomRefs2="a14 a16" order="S"/>
                  <bond atomRefs2="a15 a65" order="S"/>
                  <bond atomRefs2="a15 a16" order="S"/>
                  <bond atomRefs2="a15 a25" order="S"/>
                  <bond atomRefs2="a15 a29" order="S"/>
                  <bond atomRefs2="a16 a43" order="S"/>
                  <bond atomRefs2="a16 a45" order="S"/>
                  <bond atomRefs2="a16 a30" order="S"/>
                  <bond atomRefs2="a16 a26" order="S"/>
                  <bond atomRefs2="a16 a29" order="S"/>
                  <bond atomRefs2="a16 a47" order="S"/>
                  <bond atomRefs2="a17 a21" order="S"/>
                  <bond atomRefs2="a17 a18" order="S"/>
                  <bond atomRefs2="a17 a19" order="S"/>
                  <bond atomRefs2="a18 a21" order="S"/>
                  <bond atomRefs2="a18 a19" order="S"/>
                  <bond atomRefs2="a18 a22" order="S"/>
                  <bond atomRefs2="a18 a20" order="S"/>
                  <bond atomRefs2="a19 a21" order="S"/>
                  <bond atomRefs2="a19 a49" order="S"/>
                  <bond atomRefs2="a19 a20" order="S"/>
                  <bond atomRefs2="a19 a23" order="S"/>
                  <bond atomRefs2="a19 a34" order="S"/>
                  <bond atomRefs2="a20 a49" order="S"/>
                  <bond atomRefs2="a20 a50" order="S"/>
                  <bond atomRefs2="a20 a24" order="S"/>
                  <bond atomRefs2="a20 a23" order="S"/>
                  <bond atomRefs2="a20 a22" order="S"/>
                  <bond atomRefs2="a21 a22" order="S"/>
                  <bond atomRefs2="a21 a28" order="S"/>
                  <bond atomRefs2="a21 a26" order="S"/>
                  <bond atomRefs2="a21 a27" order="S"/>
                  <bond atomRefs2="a21 a23" order="S"/>
                  <bond atomRefs2="a22 a28" order="S"/>
                  <bond atomRefs2="a22 a24" order="S"/>
                  <bond atomRefs2="a22 a23" order="S"/>
                  <bond atomRefs2="a23 a49" order="S"/>
                  <bond atomRefs2="a23 a53" order="S"/>
                  <bond atomRefs2="a23 a24" order="S"/>
                  <bond atomRefs2="a23 a59" order="S"/>
                  <bond atomRefs2="a23 a57" order="S"/>
                  <bond atomRefs2="a23 a38" order="S"/>
                  <bond atomRefs2="a23 a28" order="S"/>
                  <bond atomRefs2="a24 a54" order="S"/>
                  <bond atomRefs2="a24 a50" order="S"/>
                  <bond atomRefs2="a24 a53" order="S"/>
                  <bond atomRefs2="a24 a59" order="S"/>
                  <bond atomRefs2="a25 a27" order="S"/>
                  <bond atomRefs2="a25 a29" order="S"/>
                  <bond atomRefs2="a25 a26" order="S"/>
                  <bond atomRefs2="a26 a30" order="S"/>
                  <bond atomRefs2="a26 a28" order="S"/>
                  <bond atomRefs2="a26 a27" order="S"/>
                  <bond atomRefs2="a26 a29" order="S"/>
                  <bond atomRefs2="a26 a43" order="S"/>
                  <bond atomRefs2="a26 a57" order="S"/>
                  <bond atomRefs2="a27 a31" order="S"/>
                  <bond atomRefs2="a27 a29" order="S"/>
                  <bond atomRefs2="a27 a28" order="S"/>
                  <bond atomRefs2="a28 a31" order="S"/>
                  <bond atomRefs2="a28 a30" order="S"/>
                  <bond atomRefs2="a28 a59" order="S"/>
                  <bond atomRefs2="a28 a32" order="S"/>
                  <bond atomRefs2="a28 a57" order="S"/>
                  <bond atomRefs2="a29 a31" order="S"/>
                  <bond atomRefs2="a29 a30" order="S"/>
                  <bond atomRefs2="a30 a31" order="S"/>
                  <bond atomRefs2="a30 a57" order="S"/>
                  <bond atomRefs2="a30 a47" order="S"/>
                  <bond atomRefs2="a30 a61" order="S"/>
                  <bond atomRefs2="a30 a32" order="S"/>
                  <bond atomRefs2="a31 a66" order="S"/>
                  <bond atomRefs2="a31 a32" order="S"/>
                  <bond atomRefs2="a32 a63" order="S"/>
                  <bond atomRefs2="a32 a59" order="S"/>
                  <bond atomRefs2="a32 a61" order="S"/>
                  <bond atomRefs2="a33 a35" order="S"/>
                  <bond atomRefs2="a33 a34" order="S"/>
                  <bond atomRefs2="a33 a37" order="S"/>
                  <bond atomRefs2="a34 a49" order="S"/>
                  <bond atomRefs2="a34 a35" order="S"/>
                  <bond atomRefs2="a34 a38" order="S"/>
                  <bond atomRefs2="a34 a37" order="S"/>
                  <bond atomRefs2="a34 a36" order="S"/>
                  <bond atomRefs2="a35 a36" order="S"/>
                  <bond atomRefs2="a35 a39" order="S"/>
                  <bond atomRefs2="a35 a37" order="S"/>
                  <bond atomRefs2="a36 a49" order="S"/>
                  <bond atomRefs2="a36 a40" order="S"/>
                  <bond atomRefs2="a36 a39" order="S"/>
                  <bond atomRefs2="a36 a38" order="S"/>
                  <bond atomRefs2="a36 a51" order="S"/>
                  <bond atomRefs2="a37 a42" order="S"/>
                  <bond atomRefs2="a37 a38" order="S"/>
                  <bond atomRefs2="a37 a39" order="S"/>
                  <bond atomRefs2="a37 a44" order="S"/>
                  <bond atomRefs2="a37 a43" order="S"/>
                  <bond atomRefs2="a38 a49" order="S"/>
                  <bond atomRefs2="a38 a57" order="S"/>
                  <bond atomRefs2="a38 a40" order="S"/>
                  <bond atomRefs2="a38 a39" order="S"/>
                  <bond atomRefs2="a38 a44" order="S"/>
                  <bond atomRefs2="a38 a58" order="S"/>
                  <bond atomRefs2="a38 a53" order="S"/>
                  <bond atomRefs2="a39 a40" order="S"/>
                  <bond atomRefs2="a39 a44" order="S"/>
                  <bond atomRefs2="a40 a58" order="S"/>
                  <bond atomRefs2="a40 a55" order="S"/>
                  <bond atomRefs2="a40 a51" order="S"/>
                  <bond atomRefs2="a40 a53" order="S"/>
                  <bond atomRefs2="a41 a43" order="S"/>
                  <bond atomRefs2="a41 a45" order="S"/>
                  <bond atomRefs2="a41 a42" order="S"/>
                  <bond atomRefs2="a42 a46" order="S"/>
                  <bond atomRefs2="a42 a44" order="S"/>
                  <bond atomRefs2="a42 a43" order="S"/>
                  <bond atomRefs2="a42 a45" order="S"/>
                  <bond atomRefs2="a43 a45" order="S"/>
                  <bond atomRefs2="a43 a57" order="S"/>
                  <bond atomRefs2="a43 a47" order="S"/>
                  <bond atomRefs2="a43 a44" order="S"/>
                  <bond atomRefs2="a44 a57" order="S"/>
                  <bond atomRefs2="a44 a47" order="S"/>
                  <bond atomRefs2="a44 a46" order="S"/>
                  <bond atomRefs2="a44 a58" order="S"/>
                  <bond atomRefs2="a44 a48" order="S"/>
                  <bond atomRefs2="a45 a47" order="S"/>
                  <bond atomRefs2="a45 a46" order="S"/>
                  <bond atomRefs2="a46 a47" order="S"/>
                  <bond atomRefs2="a46 a48" order="S"/>
                  <bond atomRefs2="a47 a67" order="S"/>
                  <bond atomRefs2="a47 a57" order="S"/>
                  <bond atomRefs2="a47 a61" order="S"/>
                  <bond atomRefs2="a47 a48" order="S"/>
                  <bond atomRefs2="a48 a68" order="S"/>
                  <bond atomRefs2="a48 a58" order="S"/>
                  <bond atomRefs2="a48 a62" order="S"/>
                  <bond atomRefs2="a48 a61" order="S"/>
                  <bond atomRefs2="a49 a50" order="S"/>
                  <bond atomRefs2="a49 a53" order="S"/>
                  <bond atomRefs2="a49 a51" order="S"/>
                  <bond atomRefs2="a50 a54" order="S"/>
                  <bond atomRefs2="a50 a52" order="S"/>
                  <bond atomRefs2="a50 a51" order="S"/>
                  <bond atomRefs2="a50 a53" order="S"/>
                  <bond atomRefs2="a51 a55" order="S"/>
                  <bond atomRefs2="a51 a52" order="S"/>
                  <bond atomRefs2="a51 a53" order="S"/>
                  <bond atomRefs2="a52 a54" order="S"/>
                  <bond atomRefs2="a52 a55" order="S"/>
                  <bond atomRefs2="a52 a56" order="S"/>
                  <bond atomRefs2="a53 a54" order="S"/>
                  <bond atomRefs2="a53 a55" order="S"/>
                  <bond atomRefs2="a53 a60" order="S"/>
                  <bond atomRefs2="a53 a59" order="S"/>
                  <bond atomRefs2="a53 a58" order="S"/>
                  <bond atomRefs2="a54 a56" order="S"/>
                  <bond atomRefs2="a54 a60" order="S"/>
                  <bond atomRefs2="a54 a55" order="S"/>
                  <bond atomRefs2="a55 a60" order="S"/>
                  <bond atomRefs2="a55 a56" order="S"/>
                  <bond atomRefs2="a57 a61" order="S"/>
                  <bond atomRefs2="a57 a58" order="S"/>
                  <bond atomRefs2="a57 a59" order="S"/>
                  <bond atomRefs2="a58 a62" order="S"/>
                  <bond atomRefs2="a58 a61" order="S"/>
                  <bond atomRefs2="a58 a60" order="S"/>
                  <bond atomRefs2="a58 a59" order="S"/>
                  <bond atomRefs2="a59 a63" order="S"/>
                  <bond atomRefs2="a59 a60" order="S"/>
                  <bond atomRefs2="a59 a61" order="S"/>
                  <bond atomRefs2="a60 a63" order="S"/>
                  <bond atomRefs2="a60 a64" order="S"/>
                  <bond atomRefs2="a60 a62" order="S"/>
                  <bond atomRefs2="a61 a62" order="S"/>
                  <bond atomRefs2="a61 a63" order="S"/>
                  <bond atomRefs2="a62 a63" order="S"/>
                  <bond atomRefs2="a62 a64" order="S"/>
                  <bond atomRefs2="a63 a64" order="S"/>
                  <bond atomRefs2="a63 a69" order="S"/>
                  <bond atomRefs2="a67 a68" order="S"/>
               </bondArray>
               <formula concise="Br5Cu64">
                  <atomArray count="5 64" elementType="Br Cu"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">4466.463999999996</scalar>
               </property>
            </molecule>
            <molecule id="initial">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">10.364410710831562</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">10.364412581405663</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</scalar>
                  <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                  <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                  <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
               </crystal>
               <atomArray>
                  <atom elementType="Cu"
                        id="a1"
                        x3="2.61042584"
                        xFract="0.168434"
                        y3="1.5108934"
                        yFract="0.168434"
                        z3="1.27381326"
                        zFract="0.050004"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="3.89871484"
                        xFract="0.168434"
                        y3="3.7534534"
                        yFract="0.418434"
                        z3="1.43209026"
                        zFract="0.050004"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="5.19668984"
                        xFract="0.418434"
                        y3="1.5108934"
                        yFract="0.168434"
                        z3="1.43209026"
                        zFract="0.050004"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="6.48497884"
                        xFract="0.418434"
                        y3="3.7534534"
                        yFract="0.418434"
                        z3="1.59036726"
                        zFract="0.050004"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="3.77278399"
                        xFract="0.2434335"
                        y3="2.18365692"
                        yFract="0.2434335"
                        z3="3.48968803"
                        zFract="0.150004"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="5.06107299"
                        xFract="0.2434335"
                        y3="4.42621692"
                        yFract="0.4934335"
                        z3="3.64796503"
                        zFract="0.150004"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="6.35904799"
                        xFract="0.4934335"
                        y3="2.18365692"
                        yFract="0.2434335"
                        z3="3.64796503"
                        zFract="0.150004"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="7.64733699"
                        xFract="0.4934335"
                        y3="4.42621692"
                        yFract="0.4934335"
                        z3="3.80624203"
                        zFract="0.150004"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="1.05759478"
                        xFract="0.06963546"
                        y3="0.58699425"
                        yFract="0.06543797"
                        z3="5.35584436"
                        zFract="0.24849382"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="3.64385934"
                        xFract="0.31943912"
                        y3="0.5905309"
                        yFract="0.06583223"
                        z3="5.51043857"
                        zFract="0.24831427"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="2.34478457"
                        xFract="0.06815205"
                        y3="2.85435396"
                        yFract="0.31820263"
                        z3="5.53073733"
                        zFract="0.24923901"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="4.93253393"
                        xFract="0.31830752"
                        y3="2.85413988"
                        yFract="0.31817876"
                        z3="5.6892686"
                        zFract="0.24924707"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="2.21826943"
                        xFract="0.14420185"
                        y3="1.26462659"
                        yFract="0.14098024"
                        z3="7.49006717"
                        zFract="0.34464069"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="4.80972623"
                        xFract="0.39471954"
                        y3="1.26434349"
                        yFract="0.14094868"
                        z3="7.64856773"
                        zFract="0.34463672"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="3.50262306"
                        xFract="0.14395074"
                        y3="3.50485823"
                        yFract="0.39072068"
                        z3="7.74724441"
                        zFract="0.34931904"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="6.08851738"
                        xFract="0.39354468"
                        y3="3.51152702"
                        yFract="0.39146411"
                        z3="7.90724106"
                        zFract="0.34939005"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="5.18700384"
                        xFract="0.168434"
                        y3="5.9960134"
                        yFract="0.668434"
                        z3="1.59036726"
                        zFract="0.050004"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="6.47529284"
                        xFract="0.168434"
                        y3="8.2385734"
                        yFract="0.918434"
                        z3="1.74864426"
                        zFract="0.050004"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="7.77326784"
                        xFract="0.418434"
                        y3="5.9960134"
                        yFract="0.668434"
                        z3="1.74864426"
                        zFract="0.050004"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="9.06155684"
                        xFract="0.418434"
                        y3="8.2385734"
                        yFract="0.918434"
                        z3="1.90692126"
                        zFract="0.050004"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="6.34936199"
                        xFract="0.2434335"
                        y3="6.66877692"
                        yFract="0.7434335"
                        z3="3.80624203"
                        zFract="0.150004"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="7.63765099"
                        xFract="0.2434335"
                        y3="8.91133692"
                        yFract="0.9934335"
                        z3="3.96451903"
                        zFract="0.150004"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="8.93562599"
                        xFract="0.4934335"
                        y3="6.66877692"
                        yFract="0.7434335"
                        z3="3.96451903"
                        zFract="0.150004"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="10.22391499"
                        xFract="0.4934335"
                        y3="8.91133692"
                        yFract="0.9934335"
                        z3="4.12279603"
                        zFract="0.150004"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="3.63417278"
                        xFract="0.06963546"
                        y3="5.07211425"
                        yFract="0.56543796"
                        z3="5.67239836"
                        zFract="0.24849382"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="6.22043734"
                        xFract="0.31943912"
                        y3="5.0756509"
                        yFract="0.56583223"
                        z3="5.82699257"
                        zFract="0.24831427"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="4.92136257"
                        xFract="0.06815205"
                        y3="7.33947396"
                        yFract="0.81820263"
                        z3="5.84729133"
                        zFract="0.24923901"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="7.50911193"
                        xFract="0.31830752"
                        y3="7.33925988"
                        yFract="0.81817876"
                        z3="6.0058226"
                        zFract="0.24924707"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="4.79484743"
                        xFract="0.14420185"
                        y3="5.74974659"
                        yFract="0.64098024"
                        z3="7.80662117"
                        zFract="0.34464069"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="7.38630423"
                        xFract="0.39471954"
                        y3="5.74946349"
                        yFract="0.64094868"
                        z3="7.96512173"
                        zFract="0.34463672"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="6.07920106"
                        xFract="0.14395074"
                        y3="7.98997823"
                        yFract="0.89072067"
                        z3="8.06379841"
                        zFract="0.34931904"/>
                  <atom elementType="Cu"
                        id="a32"
                        x3="8.66509538"
                        xFract="0.39354468"
                        y3="7.99664702"
                        yFract="0.89146411"
                        z3="8.22379506"
                        zFract="0.34939005"/>
                  <atom elementType="Cu"
                        id="a33"
                        x3="7.78295384"
                        xFract="0.668434"
                        y3="1.5108934"
                        yFract="0.168434"
                        z3="1.59036726"
                        zFract="0.050004"/>
                  <atom elementType="Cu"
                        id="a34"
                        x3="9.07124284"
                        xFract="0.668434"
                        y3="3.7534534"
                        yFract="0.418434"
                        z3="1.74864426"
                        zFract="0.050004"/>
                  <atom elementType="Cu"
                        id="a35"
                        x3="10.36921784"
                        xFract="0.918434"
                        y3="1.5108934"
                        yFract="0.168434"
                        z3="1.74864426"
                        zFract="0.050004"/>
                  <atom elementType="Cu"
                        id="a36"
                        x3="11.65750684"
                        xFract="0.918434"
                        y3="3.7534534"
                        yFract="0.418434"
                        z3="1.90692126"
                        zFract="0.050004"/>
                  <atom elementType="Cu"
                        id="a37"
                        x3="8.94531199"
                        xFract="0.7434335"
                        y3="2.18365692"
                        yFract="0.2434335"
                        z3="3.80624203"
                        zFract="0.150004"/>
                  <atom elementType="Cu"
                        id="a38"
                        x3="10.23360099"
                        xFract="0.7434335"
                        y3="4.42621692"
                        yFract="0.4934335"
                        z3="3.96451903"
                        zFract="0.150004"/>
                  <atom elementType="Cu"
                        id="a39"
                        x3="11.53157599"
                        xFract="0.9934335"
                        y3="2.18365692"
                        yFract="0.2434335"
                        z3="3.96451903"
                        zFract="0.150004"/>
                  <atom elementType="Cu"
                        id="a40"
                        x3="12.81986499"
                        xFract="0.9934335"
                        y3="4.42621692"
                        yFract="0.4934335"
                        z3="4.12279603"
                        zFract="0.150004"/>
                  <atom elementType="Cu"
                        id="a41"
                        x3="6.23012278"
                        xFract="0.56963546"
                        y3="0.58699425"
                        yFract="0.06543797"
                        z3="5.67239836"
                        zFract="0.24849382"/>
                  <atom elementType="Cu"
                        id="a42"
                        x3="8.81638734"
                        xFract="0.81943912"
                        y3="0.5905309"
                        yFract="0.06583223"
                        z3="5.82699257"
                        zFract="0.24831427"/>
                  <atom elementType="Cu"
                        id="a43"
                        x3="7.51731257"
                        xFract="0.56815205"
                        y3="2.85435396"
                        yFract="0.31820263"
                        z3="5.84729133"
                        zFract="0.24923901"/>
                  <atom elementType="Cu"
                        id="a44"
                        x3="10.10506193"
                        xFract="0.81830752"
                        y3="2.85413988"
                        yFract="0.31817876"
                        z3="6.0058226"
                        zFract="0.24924707"/>
                  <atom elementType="Cu"
                        id="a45"
                        x3="7.39079743"
                        xFract="0.64420186"
                        y3="1.26462659"
                        yFract="0.14098024"
                        z3="7.80662117"
                        zFract="0.34464069"/>
                  <atom elementType="Cu"
                        id="a46"
                        x3="9.98225423"
                        xFract="0.89471954"
                        y3="1.26434349"
                        yFract="0.14094868"
                        z3="7.96512173"
                        zFract="0.34463672"/>
                  <atom elementType="Cu"
                        id="a47"
                        x3="8.67515106"
                        xFract="0.64395074"
                        y3="3.50485823"
                        yFract="0.39072068"
                        z3="8.06379841"
                        zFract="0.34931904"/>
                  <atom elementType="Cu"
                        id="a48"
                        x3="11.26104538"
                        xFract="0.89354468"
                        y3="3.51152702"
                        yFract="0.39146411"
                        z3="8.22379506"
                        zFract="0.34939005"/>
                  <atom elementType="Cu"
                        id="a49"
                        x3="10.35953184"
                        xFract="0.668434"
                        y3="5.9960134"
                        yFract="0.668434"
                        z3="1.90692126"
                        zFract="0.050004"/>
                  <atom elementType="Cu"
                        id="a50"
                        x3="11.64782084"
                        xFract="0.668434"
                        y3="8.2385734"
                        yFract="0.918434"
                        z3="2.06519826"
                        zFract="0.050004"/>
                  <atom elementType="Cu"
                        id="a51"
                        x3="12.94579584"
                        xFract="0.918434"
                        y3="5.9960134"
                        yFract="0.668434"
                        z3="2.06519826"
                        zFract="0.050004"/>
                  <atom elementType="Cu"
                        id="a52"
                        x3="14.23408484"
                        xFract="0.918434"
                        y3="8.2385734"
                        yFract="0.918434"
                        z3="2.22347526"
                        zFract="0.050004"/>
                  <atom elementType="Cu"
                        id="a53"
                        x3="11.52188999"
                        xFract="0.7434335"
                        y3="6.66877692"
                        yFract="0.7434335"
                        z3="4.12279603"
                        zFract="0.150004"/>
                  <atom elementType="Cu"
                        id="a54"
                        x3="12.81017899"
                        xFract="0.7434335"
                        y3="8.91133692"
                        yFract="0.9934335"
                        z3="4.28107303"
                        zFract="0.150004"/>
                  <atom elementType="Cu"
                        id="a55"
                        x3="14.10815399"
                        xFract="0.9934335"
                        y3="6.66877692"
                        yFract="0.7434335"
                        z3="4.28107303"
                        zFract="0.150004"/>
                  <atom elementType="Cu"
                        id="a56"
                        x3="15.39644299"
                        xFract="0.9934335"
                        y3="8.91133692"
                        yFract="0.9934335"
                        z3="4.43935003"
                        zFract="0.150004"/>
                  <atom elementType="Cu"
                        id="a57"
                        x3="8.80670078"
                        xFract="0.56963546"
                        y3="5.07211425"
                        yFract="0.56543796"
                        z3="5.98895236"
                        zFract="0.24849382"/>
                  <atom elementType="Cu"
                        id="a58"
                        x3="11.39296534"
                        xFract="0.81943912"
                        y3="5.0756509"
                        yFract="0.56583223"
                        z3="6.14354657"
                        zFract="0.24831427"/>
                  <atom elementType="Cu"
                        id="a59"
                        x3="10.09389057"
                        xFract="0.56815205"
                        y3="7.33947396"
                        yFract="0.81820263"
                        z3="6.16384533"
                        zFract="0.24923901"/>
                  <atom elementType="Cu"
                        id="a60"
                        x3="12.68163993"
                        xFract="0.81830752"
                        y3="7.33925988"
                        yFract="0.81817876"
                        z3="6.3223766"
                        zFract="0.24924707"/>
                  <atom elementType="Cu"
                        id="a61"
                        x3="9.96737543"
                        xFract="0.64420186"
                        y3="5.74974659"
                        yFract="0.64098024"
                        z3="8.12317517"
                        zFract="0.34464069"/>
                  <atom elementType="Cu"
                        id="a62"
                        x3="12.55883223"
                        xFract="0.89471954"
                        y3="5.74946349"
                        yFract="0.64094868"
                        z3="8.28167573"
                        zFract="0.34463672"/>
                  <atom elementType="Cu"
                        id="a63"
                        x3="11.25172906"
                        xFract="0.64395074"
                        y3="7.98997823"
                        yFract="0.89072067"
                        z3="8.38035241"
                        zFract="0.34931904"/>
                  <atom elementType="Cu"
                        id="a64"
                        x3="13.83762338"
                        xFract="0.89354468"
                        y3="7.99664702"
                        yFract="0.89146411"
                        z3="8.54034906"
                        zFract="0.34939005"/>
                  <atom elementType="Br"
                        id="a65"
                        x3="3.33136007"
                        xFract="0.14484762"
                        y3="3.1905852"
                        yFract="0.3556856"
                        z3="10.37741101"
                        zFract="0.47434937"/>
                  <atom elementType="Br"
                        id="a66"
                        x3="5.90793807"
                        xFract="0.14484762"
                        y3="7.6757052"
                        yFract="0.8556856"
                        z3="10.69396501"
                        zFract="0.47434937"/>
                  <atom elementType="Br"
                        id="a67"
                        x3="8.50388807"
                        xFract="0.64484761"
                        y3="3.1905852"
                        yFract="0.3556856"
                        z3="10.69396501"
                        zFract="0.47434937"/>
                  <atom elementType="Br"
                        id="a68"
                        x3="11.09137398"
                        xFract="0.88052546"
                        y3="3.45062456"
                        yFract="0.38467472"
                        z3="10.87057007"
                        zFract="0.47477571"/>
                  <atom elementType="Br"
                        id="a69"
                        x3="11.08046607"
                        xFract="0.64484761"
                        y3="7.6757052"
                        yFract="0.8556856"
                        z3="11.01051901"
                        zFract="0.47434937"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a2" order="S"/>
                  <bond atomRefs2="a1 a5" order="S"/>
                  <bond atomRefs2="a1 a3" order="S"/>
                  <bond atomRefs2="a2 a4" order="S"/>
                  <bond atomRefs2="a2 a6" order="S"/>
                  <bond atomRefs2="a2 a17" order="S"/>
                  <bond atomRefs2="a2 a5" order="S"/>
                  <bond atomRefs2="a2 a3" order="S"/>
                  <bond atomRefs2="a3 a5" order="S"/>
                  <bond atomRefs2="a3 a33" order="S"/>
                  <bond atomRefs2="a3 a7" order="S"/>
                  <bond atomRefs2="a3 a4" order="S"/>
                  <bond atomRefs2="a4 a19" order="S"/>
                  <bond atomRefs2="a4 a8" order="S"/>
                  <bond atomRefs2="a4 a6" order="S"/>
                  <bond atomRefs2="a4 a17" order="S"/>
                  <bond atomRefs2="a4 a33" order="S"/>
                  <bond atomRefs2="a4 a7" order="S"/>
                  <bond atomRefs2="a4 a34" order="S"/>
                  <bond atomRefs2="a5 a7" order="S"/>
                  <bond atomRefs2="a5 a11" order="S"/>
                  <bond atomRefs2="a5 a10" order="S"/>
                  <bond atomRefs2="a5 a12" order="S"/>
                  <bond atomRefs2="a5 a6" order="S"/>
                  <bond atomRefs2="a6 a25" order="S"/>
                  <bond atomRefs2="a6 a21" order="S"/>
                  <bond atomRefs2="a6 a17" order="S"/>
                  <bond atomRefs2="a6 a8" order="S"/>
                  <bond atomRefs2="a6 a26" order="S"/>
                  <bond atomRefs2="a6 a7" order="S"/>
                  <bond atomRefs2="a6 a12" order="S"/>
                  <bond atomRefs2="a7 a41" order="S"/>
                  <bond atomRefs2="a7 a33" order="S"/>
                  <bond atomRefs2="a7 a12" order="S"/>
                  <bond atomRefs2="a7 a43" order="S"/>
                  <bond atomRefs2="a7 a8" order="S"/>
                  <bond atomRefs2="a7 a37" order="S"/>
                  <bond atomRefs2="a8 a19" order="S"/>
                  <bond atomRefs2="a8 a21" order="S"/>
                  <bond atomRefs2="a8 a26" order="S"/>
                  <bond atomRefs2="a8 a43" order="S"/>
                  <bond atomRefs2="a8 a57" order="S"/>
                  <bond atomRefs2="a8 a34" order="S"/>
                  <bond atomRefs2="a8 a38" order="S"/>
                  <bond atomRefs2="a8 a37" order="S"/>
                  <bond atomRefs2="a8 a23" order="S"/>
                  <bond atomRefs2="a9 a10" order="S"/>
                  <bond atomRefs2="a9 a11" order="S"/>
                  <bond atomRefs2="a9 a13" order="S"/>
                  <bond atomRefs2="a10 a41" order="S"/>
                  <bond atomRefs2="a10 a11" order="S"/>
                  <bond atomRefs2="a10 a12" order="S"/>
                  <bond atomRefs2="a10 a14" order="S"/>
                  <bond atomRefs2="a10 a13" order="S"/>
                  <bond atomRefs2="a11 a12" order="S"/>
                  <bond atomRefs2="a11 a13" order="S"/>
                  <bond atomRefs2="a11 a15" order="S"/>
                  <bond atomRefs2="a11 a25" order="S"/>
                  <bond atomRefs2="a12 a41" order="S"/>
                  <bond atomRefs2="a12 a43" order="S"/>
                  <bond atomRefs2="a12 a16" order="S"/>
                  <bond atomRefs2="a12 a14" order="S"/>
                  <bond atomRefs2="a12 a15" order="S"/>
                  <bond atomRefs2="a12 a25" order="S"/>
                  <bond atomRefs2="a12 a26" order="S"/>
                  <bond atomRefs2="a13 a14" order="S"/>
                  <bond atomRefs2="a13 a15" order="S"/>
                  <bond atomRefs2="a14 a41" order="S"/>
                  <bond atomRefs2="a14 a15" order="S"/>
                  <bond atomRefs2="a14 a45" order="S"/>
                  <bond atomRefs2="a14 a16" order="S"/>
                  <bond atomRefs2="a15 a65" order="S"/>
                  <bond atomRefs2="a15 a16" order="S"/>
                  <bond atomRefs2="a15 a25" order="S"/>
                  <bond atomRefs2="a15 a29" order="S"/>
                  <bond atomRefs2="a16 a43" order="S"/>
                  <bond atomRefs2="a16 a45" order="S"/>
                  <bond atomRefs2="a16 a30" order="S"/>
                  <bond atomRefs2="a16 a26" order="S"/>
                  <bond atomRefs2="a16 a29" order="S"/>
                  <bond atomRefs2="a16 a47" order="S"/>
                  <bond atomRefs2="a17 a21" order="S"/>
                  <bond atomRefs2="a17 a18" order="S"/>
                  <bond atomRefs2="a17 a19" order="S"/>
                  <bond atomRefs2="a18 a21" order="S"/>
                  <bond atomRefs2="a18 a19" order="S"/>
                  <bond atomRefs2="a18 a22" order="S"/>
                  <bond atomRefs2="a18 a20" order="S"/>
                  <bond atomRefs2="a19 a21" order="S"/>
                  <bond atomRefs2="a19 a49" order="S"/>
                  <bond atomRefs2="a19 a20" order="S"/>
                  <bond atomRefs2="a19 a23" order="S"/>
                  <bond atomRefs2="a19 a34" order="S"/>
                  <bond atomRefs2="a20 a49" order="S"/>
                  <bond atomRefs2="a20 a50" order="S"/>
                  <bond atomRefs2="a20 a24" order="S"/>
                  <bond atomRefs2="a20 a23" order="S"/>
                  <bond atomRefs2="a20 a22" order="S"/>
                  <bond atomRefs2="a21 a22" order="S"/>
                  <bond atomRefs2="a21 a28" order="S"/>
                  <bond atomRefs2="a21 a26" order="S"/>
                  <bond atomRefs2="a21 a27" order="S"/>
                  <bond atomRefs2="a21 a23" order="S"/>
                  <bond atomRefs2="a22 a28" order="S"/>
                  <bond atomRefs2="a22 a24" order="S"/>
                  <bond atomRefs2="a22 a23" order="S"/>
                  <bond atomRefs2="a23 a49" order="S"/>
                  <bond atomRefs2="a23 a53" order="S"/>
                  <bond atomRefs2="a23 a24" order="S"/>
                  <bond atomRefs2="a23 a59" order="S"/>
                  <bond atomRefs2="a23 a57" order="S"/>
                  <bond atomRefs2="a23 a38" order="S"/>
                  <bond atomRefs2="a23 a28" order="S"/>
                  <bond atomRefs2="a24 a54" order="S"/>
                  <bond atomRefs2="a24 a50" order="S"/>
                  <bond atomRefs2="a24 a53" order="S"/>
                  <bond atomRefs2="a24 a59" order="S"/>
                  <bond atomRefs2="a25 a27" order="S"/>
                  <bond atomRefs2="a25 a29" order="S"/>
                  <bond atomRefs2="a25 a26" order="S"/>
                  <bond atomRefs2="a26 a30" order="S"/>
                  <bond atomRefs2="a26 a28" order="S"/>
                  <bond atomRefs2="a26 a27" order="S"/>
                  <bond atomRefs2="a26 a29" order="S"/>
                  <bond atomRefs2="a26 a43" order="S"/>
                  <bond atomRefs2="a26 a57" order="S"/>
                  <bond atomRefs2="a27 a31" order="S"/>
                  <bond atomRefs2="a27 a29" order="S"/>
                  <bond atomRefs2="a27 a28" order="S"/>
                  <bond atomRefs2="a28 a31" order="S"/>
                  <bond atomRefs2="a28 a30" order="S"/>
                  <bond atomRefs2="a28 a59" order="S"/>
                  <bond atomRefs2="a28 a32" order="S"/>
                  <bond atomRefs2="a28 a57" order="S"/>
                  <bond atomRefs2="a29 a31" order="S"/>
                  <bond atomRefs2="a29 a30" order="S"/>
                  <bond atomRefs2="a30 a31" order="S"/>
                  <bond atomRefs2="a30 a57" order="S"/>
                  <bond atomRefs2="a30 a47" order="S"/>
                  <bond atomRefs2="a30 a61" order="S"/>
                  <bond atomRefs2="a30 a32" order="S"/>
                  <bond atomRefs2="a31 a66" order="S"/>
                  <bond atomRefs2="a31 a32" order="S"/>
                  <bond atomRefs2="a32 a63" order="S"/>
                  <bond atomRefs2="a32 a59" order="S"/>
                  <bond atomRefs2="a32 a61" order="S"/>
                  <bond atomRefs2="a33 a35" order="S"/>
                  <bond atomRefs2="a33 a34" order="S"/>
                  <bond atomRefs2="a33 a37" order="S"/>
                  <bond atomRefs2="a34 a49" order="S"/>
                  <bond atomRefs2="a34 a35" order="S"/>
                  <bond atomRefs2="a34 a38" order="S"/>
                  <bond atomRefs2="a34 a37" order="S"/>
                  <bond atomRefs2="a34 a36" order="S"/>
                  <bond atomRefs2="a35 a36" order="S"/>
                  <bond atomRefs2="a35 a39" order="S"/>
                  <bond atomRefs2="a35 a37" order="S"/>
                  <bond atomRefs2="a36 a49" order="S"/>
                  <bond atomRefs2="a36 a40" order="S"/>
                  <bond atomRefs2="a36 a39" order="S"/>
                  <bond atomRefs2="a36 a38" order="S"/>
                  <bond atomRefs2="a36 a51" order="S"/>
                  <bond atomRefs2="a37 a42" order="S"/>
                  <bond atomRefs2="a37 a38" order="S"/>
                  <bond atomRefs2="a37 a39" order="S"/>
                  <bond atomRefs2="a37 a44" order="S"/>
                  <bond atomRefs2="a37 a43" order="S"/>
                  <bond atomRefs2="a38 a49" order="S"/>
                  <bond atomRefs2="a38 a57" order="S"/>
                  <bond atomRefs2="a38 a40" order="S"/>
                  <bond atomRefs2="a38 a39" order="S"/>
                  <bond atomRefs2="a38 a44" order="S"/>
                  <bond atomRefs2="a38 a58" order="S"/>
                  <bond atomRefs2="a38 a53" order="S"/>
                  <bond atomRefs2="a39 a40" order="S"/>
                  <bond atomRefs2="a39 a44" order="S"/>
                  <bond atomRefs2="a40 a58" order="S"/>
                  <bond atomRefs2="a40 a55" order="S"/>
                  <bond atomRefs2="a40 a51" order="S"/>
                  <bond atomRefs2="a40 a53" order="S"/>
                  <bond atomRefs2="a41 a43" order="S"/>
                  <bond atomRefs2="a41 a45" order="S"/>
                  <bond atomRefs2="a41 a42" order="S"/>
                  <bond atomRefs2="a42 a46" order="S"/>
                  <bond atomRefs2="a42 a44" order="S"/>
                  <bond atomRefs2="a42 a43" order="S"/>
                  <bond atomRefs2="a42 a45" order="S"/>
                  <bond atomRefs2="a43 a45" order="S"/>
                  <bond atomRefs2="a43 a57" order="S"/>
                  <bond atomRefs2="a43 a47" order="S"/>
                  <bond atomRefs2="a43 a44" order="S"/>
                  <bond atomRefs2="a44 a57" order="S"/>
                  <bond atomRefs2="a44 a47" order="S"/>
                  <bond atomRefs2="a44 a46" order="S"/>
                  <bond atomRefs2="a44 a58" order="S"/>
                  <bond atomRefs2="a44 a48" order="S"/>
                  <bond atomRefs2="a45 a47" order="S"/>
                  <bond atomRefs2="a45 a46" order="S"/>
                  <bond atomRefs2="a46 a47" order="S"/>
                  <bond atomRefs2="a46 a48" order="S"/>
                  <bond atomRefs2="a47 a67" order="S"/>
                  <bond atomRefs2="a47 a57" order="S"/>
                  <bond atomRefs2="a47 a61" order="S"/>
                  <bond atomRefs2="a47 a48" order="S"/>
                  <bond atomRefs2="a48 a68" order="S"/>
                  <bond atomRefs2="a48 a58" order="S"/>
                  <bond atomRefs2="a48 a62" order="S"/>
                  <bond atomRefs2="a48 a61" order="S"/>
                  <bond atomRefs2="a49 a50" order="S"/>
                  <bond atomRefs2="a49 a53" order="S"/>
                  <bond atomRefs2="a49 a51" order="S"/>
                  <bond atomRefs2="a50 a54" order="S"/>
                  <bond atomRefs2="a50 a52" order="S"/>
                  <bond atomRefs2="a50 a51" order="S"/>
                  <bond atomRefs2="a50 a53" order="S"/>
                  <bond atomRefs2="a51 a55" order="S"/>
                  <bond atomRefs2="a51 a52" order="S"/>
                  <bond atomRefs2="a51 a53" order="S"/>
                  <bond atomRefs2="a52 a54" order="S"/>
                  <bond atomRefs2="a52 a55" order="S"/>
                  <bond atomRefs2="a52 a56" order="S"/>
                  <bond atomRefs2="a53 a54" order="S"/>
                  <bond atomRefs2="a53 a55" order="S"/>
                  <bond atomRefs2="a53 a60" order="S"/>
                  <bond atomRefs2="a53 a59" order="S"/>
                  <bond atomRefs2="a53 a58" order="S"/>
                  <bond atomRefs2="a54 a56" order="S"/>
                  <bond atomRefs2="a54 a60" order="S"/>
                  <bond atomRefs2="a54 a55" order="S"/>
                  <bond atomRefs2="a55 a60" order="S"/>
                  <bond atomRefs2="a55 a56" order="S"/>
                  <bond atomRefs2="a57 a61" order="S"/>
                  <bond atomRefs2="a57 a58" order="S"/>
                  <bond atomRefs2="a57 a59" order="S"/>
                  <bond atomRefs2="a58 a62" order="S"/>
                  <bond atomRefs2="a58 a61" order="S"/>
                  <bond atomRefs2="a58 a60" order="S"/>
                  <bond atomRefs2="a58 a59" order="S"/>
                  <bond atomRefs2="a59 a63" order="S"/>
                  <bond atomRefs2="a59 a60" order="S"/>
                  <bond atomRefs2="a59 a61" order="S"/>
                  <bond atomRefs2="a60 a63" order="S"/>
                  <bond atomRefs2="a60 a64" order="S"/>
                  <bond atomRefs2="a60 a62" order="S"/>
                  <bond atomRefs2="a61 a62" order="S"/>
                  <bond atomRefs2="a61 a63" order="S"/>
                  <bond atomRefs2="a62 a63" order="S"/>
                  <bond atomRefs2="a62 a64" order="S"/>
                  <bond atomRefs2="a63 a64" order="S"/>
                  <bond atomRefs2="a63 a69" order="S"/>
                  <bond atomRefs2="a67 a68" order="S"/>
               </bondArray>
               <formula concise="Br5Cu64">
                  <atomArray count="5 64" elementType="Br Cu"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">4466.463999999996</scalar>
               </property>
            </molecule>
            <parameterList>
               <parameter dictRef="v:nwrite">
                  <scalar dataType="xsd:integer">2</scalar>
               </parameter>
               <parameter dictRef="v:ispin">
                  <scalar dataType="xsd:integer">2</scalar>
               </parameter>
               <parameter dictRef="v:potim">
                  <scalar dataType="xsd:double">0.1000</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">739.0000</scalar>
               </parameter>
               <parameter dictRef="v:nupdown">
                  <scalar dataType="xsd:double">-1.0000</scalar>
               </parameter>
               <parameter dictRef="v:ismear">
                  <scalar dataType="xsd:integer">1</scalar>
               </parameter>
               <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">BF</scalar>
               </parameter>
               <parameter dictRef="v:lexch">
                  <scalar dataType="xsd:string">17</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>
               </parameter>
               <parameter dictRef="v:aexx">
                  <scalar dataType="xsd:double">0.0000</scalar>
               </parameter>
            </parameterList>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="potcar" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:string"
                         delimiter="|"
                         dictRef="v:pseudopotential"
                         size="2">PAW_PBE Cu 05Jan2001|PAW_PBE Br 06Sep2000</array>
                  <array dictRef="cc:atomType" size="2">Cu Br</array>
                  <array dataType="xsd:double" dictRef="cc:mass" size="2">63.546 79.904</array>
                  <array dataType="xsd:double" dictRef="cc:valence" size="2">11.000 7.000</array>
                  <array dataType="xsd:integer" dictRef="cc:atomcount" size="2">64 5</array>
               </module>
               <module cmlx:templateRef="kpoints"
                       dictRef="cc:userDefinedModule"
                       id="vasp.kpoints">
                  <scalar dataType="xsd:string" dictRef="v:comment">K-Points file</scalar>
                  <scalar dataType="xsd:integer" dictRef="v:kpointnum">0</scalar>
                  <scalar dataType="xsd:string" dictRef="v:meshScheme">Gamma</scalar>
                  <array dataType="xsd:integer" dictRef="v:subdivisionN" size="3">5 5 1</array>
                  <array dataType="xsd:double" dictRef="v:shiftS" size="3">0 0 0</array>
               </module>
            </module>
         </module>
         <module dictRef="cc:calculation" id="calculation">
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="eigenvalues">
                  <list id="spin">
                     <scalar dataType="xsd:integer" dictRef="cc:spin">1</scalar>
                     <array dataType="xsd:integer" dictRef="cc:serial" size="13">1 2 3 4 5 6 7 8 9 10 11 12 13</array>
                     <array dataType="xsd:double" dictRef="cc:eigen" size="7280">-16.5872 -16.5138 -16.4681 -16.4473 -16.3213 -9.7867 -8.5868 -8.0027 -7.9959 -7.9911 -7.9853 -7.9845 -7.9809 -7.1200 -7.0536 -7.0476 -7.0434 -7.0295 -6.9862 -6.9764 -6.2460 -6.1515 -6.1493 -6.1288 -6.0487 -5.9622 -5.9334 -5.9257 -5.8679 -5.8648 -5.8045 -5.7959 -5.7893 -5.7354 -5.6935 -5.6712 -5.6482 -5.6370 -5.6312 -5.6153 -5.6022 -5.5711 -5.5709 -5.5474 -5.4854 -5.4729 -5.4464 -5.4447 -5.4136 -5.4108 -5.4098 -5.3956 -5.3821 -5.3708 -5.3530 -5.3383 -5.3295 -5.3228 -5.3135 -5.3101 -5.2983 -5.2883 -5.2744 -5.2612 -5.2537 -5.2515 -5.2451 -5.2267 -5.2223 -5.1908 -5.1769 -5.1363 -5.1159 -5.0543 -5.0509 -5.0447 -5.0356 -5.0092 -4.9682 -4.9535 -4.9520 -4.9382 -4.9346 -4.9282 -4.9259 -4.9230 -4.9193 -4.9127 -4.9090 -4.8915 -4.8715 -4.8614 -4.8468 -4.8440 -4.8389 -4.8299 -4.8263 -4.8089 -4.7563 -4.7317 -4.7015 -4.6933 -4.6871 -4.6722 -4.6596 -4.6461 -4.6410 -4.6268 -4.6151 -4.6001 -4.5972 -4.5941 -4.5789 -4.5720 -4.5673 -4.5614 -4.5589 -4.5549 -4.5505 -4.5489 -4.5477 -4.5428 -4.5396 -4.5335 -4.5227 -4.5144 -4.4177 -4.4135 -4.4019 -4.3883 -4.3843 -4.3705 -4.3673 -4.3612 -4.3524 -4.3458 -4.3271 -4.3168 -4.3096 -4.3062 -4.2906 -4.2795 -4.2752 -4.2729 -4.2617 -4.2592 -4.2500 -4.2454 -4.2360 -4.2247 -4.2056 -4.2029 -4.1999 -4.1917 -4.1639 -4.1612 -4.1587 -4.1565 -4.1511 -4.1494 -4.1406 -4.1344 -4.1257 -4.1237 -4.1171 -4.0781 -4.0759 -4.0574 -4.0524 -4.0441 -4.0374 -4.0299 -4.0246 -4.0168 -4.0086 -4.0028 -3.9928 -3.9891 -3.9870 -3.9792 -3.9774 -3.9756 -3.9714 -3.9710 -3.9699 -3.9694 -3.9674 -3.9667 -3.9651 -3.9646 -3.9631 -3.9561 -3.9417 -3.9316 -3.9228 -3.9195 -3.9173 -3.9156 -3.9136 -3.9097 -3.9020 -3.9010 -3.8922 -3.8830 -3.8501 -3.8419 -3.8396 -3.8367 -3.8356 -3.8343 -3.8168 -3.8062 -3.7812 -3.7602 -3.7549 -3.7205 -3.7164 -3.7130 -3.7106 -3.7057 -3.7035 -3.7004 -3.6916 -3.6872 -3.6746 -3.6706 -3.6608 -3.6504 -3.6417 -3.6380 -3.6240 -3.6190 -3.6120 -3.6114 -3.6081 -3.6060 -3.6031 -3.5958 -3.5953 -3.5858 -3.5654 -3.5427 -3.5236 -3.5126 -3.5089 -3.5046 -3.4818 -3.4786 -3.4701 -3.4622 -3.4620 -3.4543 -3.4516 -3.4477 -3.4441 -3.4397 -3.4270 -3.4190 -3.4064 -3.4031 -3.4003 -3.3848 -3.3819 -3.3715 -3.3676 -3.3648 -3.3639 -3.3601 -3.3584 -3.3505 -3.3483 -3.3429 -3.3394 -3.3359 -3.3318 -3.3290 -3.3243 -3.3070 -3.2605 -3.2562 -3.2515 -3.2506 -3.2467 -3.2446 -3.2432 -3.2383 -3.2355 -3.2352 -3.2274 -3.2192 -3.2043 -3.1896 -3.1730 -3.1632 -3.1441 -3.1169 -3.1102 -3.1067 -3.1033 -3.0987 -3.0952 -3.0887 -3.0824 -3.0819 -3.0594 -3.0382 -2.9987 -2.9974 -2.9945 -2.9808 -2.9662 -2.9628 -2.9576 -2.9542 -2.9490 -2.9438 -2.9358 -2.9349 -2.9319 -2.9294 -2.9285 -2.9275 -2.9235 -2.9187 -2.9145 -2.9135 -2.9097 -2.9018 -2.9000 -2.8842 -2.8746 -2.8684 -2.8656 -2.8621 -2.8572 -2.8502 -2.8486 -2.8431 -2.8351 -2.8238 -2.8101 -2.8007 -2.7892 -2.7840 -2.7726 -2.7405 -2.7262 -2.6864 -2.6841 -2.6829 -2.6814 -2.6808 -2.6539 -2.6469 -2.6214 -2.1461 -2.0947 -1.9462 -1.8412 -1.8026 -1.7801 -1.7279 -1.4524 -1.4479 -1.4429 -1.4325 -1.4275 -1.4038 -1.2980 -1.2546 -1.2315 -0.8782 -0.7834 -0.7376 -0.7193 -0.6707 -0.6105 -0.4907 -0.4270 -0.3965 -0.1841 -0.1520 -0.0421 0.0654 0.1168 0.2599 0.2863 0.3112 0.3296 0.3372 0.4604 0.5625 0.5721 0.7481 0.8648 0.9304 1.0209 1.0525 1.1713 1.8937 2.1066 2.5016 2.5592 2.6170 2.6583 2.7720 2.8515 2.8849 2.9057 2.9620 2.9960 3.0946 3.1625 3.2601 3.3303 3.3839 3.7163 3.7674 3.8743 4.1598 4.1763 4.4779 4.5469 4.5578 4.5811 4.5984 4.6185 4.6544 4.6680 4.7052 4.7780 4.8417 4.8877 5.0096 5.0341 5.1159 5.1546 5.1601 5.1949 5.2223 5.2692 5.3424 5.4234 5.4445 5.4634 5.4762 5.4803 5.5173 5.5804 5.6549 5.7376 5.7756 5.8371 5.9201 5.9761 6.0519 6.0696 6.1309 6.2023 6.2180 6.2358 6.2782 6.3504 6.3622 6.4027 6.4302 6.4657 6.4924 6.5293 6.5775 6.6110 6.6343 6.6971 6.7155 6.7589 6.7983 6.8558 6.9250 6.9548 7.0496 7.0889 7.1501 7.2014 7.2902 7.3454 7.4133 7.4889 7.5232 7.6543 7.7069 7.7302 7.7775 7.8358 7.8585 7.8997 7.9789 8.0324 8.0975 8.1526 8.2020 8.2611 8.3354 8.3786 8.3888 8.4144 8.4470 8.4559 8.5017 8.5383 8.5566 8.5936 8.6321 8.6546 8.6689 8.7491 8.7852 8.8332 8.8526 8.9532 8.9719 9.0090 9.0567 9.0790 9.1320 9.1932 9.2350 9.2435 9.3216 9.3396 9.3581 9.4079 9.4479 9.4809 9.5303 9.5785 9.5961 9.6316 9.6865 9.7368 9.7725 9.7947 9.8164 9.8277 9.8847 9.9425 9.9670 10.0120 10.1179 10.1204 10.2034 10.2363 10.2633 10.2898 10.3407 10.3438 10.3880 10.4145 10.4473 10.5145 10.5406 -16.5788 -16.5238 -16.4702 -16.4469 -16.3180 -9.7097 -8.6007 -8.5151 -8.2570 -8.2514 -7.6139 -7.6063 -7.5209 -7.3250 -7.2485 -7.2157 -7.0545 -6.7663 -6.7116 -6.5551 -6.3143 -6.2260 -6.1974 -6.1446 -6.1139 -6.0628 -5.9919 -5.9521 -5.9214 -5.9129 -5.8591 -5.8328 -5.8000 -5.7858 -5.7712 -5.7411 -5.7057 -5.6912 -5.6729 -5.6338 -5.6181 -5.5586 -5.5262 -5.5163 -5.5012 -5.4736 -5.4642 -5.4281 -5.4107 -5.3995 -5.3925 -5.3838 -5.3737 -5.3648 -5.3558 -5.3446 -5.3375 -5.3255 -5.3052 -5.2977 -5.2873 -5.2737 -5.2691 -5.2561 -5.2352 -5.2248 -5.2108 -5.1832 -5.1753 -5.1549 -5.1460 -5.1391 -5.1214 -5.1068 -5.0791 -5.0573 -5.0441 -5.0264 -5.0219 -4.9968 -4.9923 -4.9799 -4.9754 -4.9565 -4.9353 -4.9291 -4.9113 -4.8910 -4.8814 -4.8701 -4.8577 -4.8440 -4.8254 -4.8194 -4.7960 -4.7790 -4.7724 -4.7557 -4.7404 -4.7333 -4.7211 -4.7150 -4.7059 -4.6992 -4.6951 -4.6873 -4.6568 -4.6434 -4.6322 -4.6133 -4.6093 -4.6012 -4.5914 -4.5810 -4.5714 -4.5675 -4.5632 -4.5547 -4.5464 -4.5333 -4.5218 -4.5143 -4.5119 -4.5035 -4.4756 -4.4685 -4.4108 -4.4048 -4.3997 -4.3927 -4.3888 -4.3824 -4.3674 -4.3509 -4.3420 -4.3220 -4.3157 -4.3116 -4.3055 -4.2974 -4.2907 -4.2863 -4.2802 -4.2725 -4.2705 -4.2618 -4.2492 -4.2412 -4.2272 -4.2249 -4.2235 -4.2020 -4.1966 -4.1788 -4.1753 -4.1648 -4.1517 -4.1419 -4.1374 -4.1311 -4.1290 -4.1223 -4.1158 -4.1132 -4.1068 -4.1044 -4.0978 -4.0951 -4.0789 -4.0533 -4.0454 -4.0347 -4.0309 -4.0267 -4.0237 -4.0177 -4.0149 -4.0090 -4.0058 -4.0015 -3.9948 -3.9933 -3.9817 -3.9802 -3.9728 -3.9701 -3.9640 -3.9581 -3.9547 -3.9483 -3.9464 -3.9404 -3.9358 -3.9193 -3.9098 -3.9062 -3.8990 -3.8962 -3.8840 -3.8785 -3.8756 -3.8676 -3.8635 -3.8565 -3.8501 -3.8476 -3.8449 -3.8360 -3.8299 -3.8161 -3.8106 -3.7912 -3.7724 -3.7656 -3.7561 -3.7405 -3.7302 -3.7221 -3.7189 -3.7090 -3.7040 -3.6893 -3.6782 -3.6700 -3.6628 -3.6595 -3.6554 -3.6496 -3.6459 -3.6407 -3.6332 -3.6296 -3.6254 -3.6187 -3.6109 -3.6054 -3.5964 -3.5841 -3.5644 -3.5547 -3.5396 -3.5313 -3.5225 -3.5101 -3.5018 -3.4839 -3.4788 -3.4760 -3.4713 -3.4598 -3.4512 -3.4433 -3.4375 -3.4332 -3.4202 -3.4100 -3.4015 -3.3989 -3.3862 -3.3796 -3.3726 -3.3649 -3.3629 -3.3567 -3.3539 -3.3491 -3.3440 -3.3421 -3.3375 -3.3293 -3.3240 -3.3218 -3.3153 -3.3096 -3.3029 -3.3006 -3.2768 -3.2690 -3.2653 -3.2597 -3.2480 -3.2408 -3.2369 -3.2298 -3.2187 -3.2109 -3.2006 -3.1939 -3.1804 -3.1762 -3.1665 -3.1588 -3.1455 -3.1413 -3.1306 -3.1248 -3.1221 -3.1115 -3.1058 -3.0969 -3.0916 -3.0853 -3.0826 -3.0767 -3.0683 -3.0620 -3.0307 -3.0270 -3.0143 -3.0037 -2.9975 -2.9911 -2.9794 -2.9778 -2.9704 -2.9636 -2.9600 -2.9558 -2.9492 -2.9428 -2.9395 -2.9358 -2.9299 -2.9283 -2.9239 -2.9191 -2.9137 -2.9049 -2.8992 -2.8952 -2.8891 -2.8861 -2.8807 -2.8749 -2.8700 -2.8605 -2.8592 -2.8508 -2.8426 -2.8376 -2.8279 -2.8234 -2.8151 -2.8024 -2.7700 -2.7563 -2.7489 -2.7265 -2.7145 -2.7111 -2.7020 -2.6795 -2.6556 -2.6216 -2.6154 -2.2515 -2.1359 -2.1169 -2.0904 -1.9238 -1.8727 -1.7605 -1.7187 -1.6321 -1.6051 -1.5646 -1.4518 -1.4144 -1.4050 -1.3143 -1.2498 -1.0575 -0.8003 -0.7321 -0.6146 -0.5940 -0.5529 -0.5400 -0.3713 -0.2808 -0.1888 0.0031 0.0533 0.0911 0.1851 0.2245 0.2742 0.3194 0.4324 0.5537 0.6579 0.7126 0.7794 0.8898 1.0046 1.0922 1.2275 1.6463 1.7980 1.8342 2.0774 2.1901 2.3642 2.4705 2.6421 2.8203 2.8680 2.8989 2.9452 2.9874 3.0749 3.1874 3.2528 3.3648 3.4007 3.4635 3.6874 3.8648 3.9563 4.0134 4.0728 4.1184 4.2072 4.2314 4.2681 4.3056 4.3298 4.3824 4.4836 4.5240 4.6568 4.7324 4.7755 4.8216 4.8601 4.8951 4.9199 4.9709 5.0290 5.0826 5.1116 5.1927 5.2117 5.2811 5.3080 5.3768 5.4654 5.5662 5.6614 5.7828 5.7897 5.8582 5.9035 5.9560 5.9889 6.0063 6.1066 6.1337 6.1621 6.2339 6.3391 6.3747 6.4519 6.4828 6.5771 6.6178 6.6370 6.6585 6.7336 6.7511 6.7946 6.8517 6.8974 6.9360 6.9864 6.9997 7.0563 7.0833 7.1248 7.1941 7.2399 7.2531 7.2788 7.3069 7.3668 7.4097 7.4845 7.5397 7.5748 7.6169 7.6724 7.6938 7.7191 7.7658 7.8108 7.8471 7.8994 7.9719 8.0261 8.1073 8.1703 8.2258 8.2706 8.3328 8.3720 8.4078 8.4427 8.4749 8.5081 8.5593 8.5846 8.6065 8.6443 8.6812 8.7336 8.7676 8.8285 8.8568 8.9446 8.9661 9.0066 9.0379 9.0734 9.0921 9.1555 9.2046 9.2789 9.3238 9.3521 9.3720 9.4081 9.4582 9.4929 9.5526 9.5798 9.6468 9.6682 9.6883 9.7369 9.7703 9.8381 9.8877 9.9428 9.9619 9.9933 10.0284 10.0729 10.1460 10.1833 10.2309 10.2672 10.3313 10.3557 10.3909 10.4323 10.4784 10.5089 10.5539 10.6074 10.6323 -16.5813 -16.5227 -16.4725 -16.4402 -16.3210 -9.7098 -8.6015 -8.5153 -8.2586 -8.2484 -7.6158 -7.6038 -7.5235 -7.3252 -7.2438 -7.2163 -7.0557 -6.7648 -6.7170 -6.5545 -6.3160 -6.1997 -6.1956 -6.1423 -6.1169 -6.0543 -6.0072 -5.9727 -5.9400 -5.9063 -5.8430 -5.8256 -5.8018 -5.7810 -5.7589 -5.7457 -5.7190 -5.6916 -5.6683 -5.6331 -5.6027 -5.5823 -5.5501 -5.5414 -5.4989 -5.4630 -5.4517 -5.4247 -5.4039 -5.3994 -5.3906 -5.3844 -5.3787 -5.3735 -5.3662 -5.3521 -5.3273 -5.3205 -5.2996 -5.2951 -5.2757 -5.2676 -5.2603 -5.2421 -5.2400 -5.2232 -5.2115 -5.1869 -5.1765 -5.1680 -5.1485 -5.1245 -5.1121 -5.0926 -5.0842 -5.0766 -5.0453 -5.0345 -5.0170 -4.9987 -4.9925 -4.9891 -4.9710 -4.9491 -4.9403 -4.9165 -4.9044 -4.8944 -4.8808 -4.8650 -4.8632 -4.8426 -4.8345 -4.8090 -4.8022 -4.7837 -4.7711 -4.7530 -4.7416 -4.7272 -4.7243 -4.7111 -4.7070 -4.6971 -4.6926 -4.6832 -4.6624 -4.6548 -4.6246 -4.6179 -4.6086 -4.6010 -4.5922 -4.5797 -4.5726 -4.5688 -4.5608 -4.5594 -4.5556 -4.5473 -4.5270 -4.5186 -4.5136 -4.5062 -4.4742 -4.4634 -4.4121 -4.4019 -4.3978 -4.3952 -4.3850 -4.3770 -4.3679 -4.3545 -4.3325 -4.3238 -4.3182 -4.3083 -4.3031 -4.2940 -4.2906 -4.2883 -4.2783 -4.2744 -4.2656 -4.2624 -4.2538 -4.2474 -4.2327 -4.2230 -4.2129 -4.2083 -4.1977 -4.1830 -4.1770 -4.1636 -4.1576 -4.1394 -4.1362 -4.1309 -4.1256 -4.1242 -4.1187 -4.1147 -4.1056 -4.1013 -4.0962 -4.0894 -4.0726 -4.0614 -4.0444 -4.0403 -4.0313 -4.0303 -4.0212 -4.0180 -4.0140 -4.0099 -4.0058 -4.0003 -3.9946 -3.9906 -3.9832 -3.9801 -3.9709 -3.9694 -3.9636 -3.9567 -3.9507 -3.9478 -3.9453 -3.9390 -3.9322 -3.9232 -3.9107 -3.9044 -3.8998 -3.8930 -3.8844 -3.8792 -3.8717 -3.8661 -3.8561 -3.8553 -3.8478 -3.8421 -3.8373 -3.8339 -3.8296 -3.8264 -3.8142 -3.7895 -3.7782 -3.7648 -3.7451 -3.7372 -3.7320 -3.7235 -3.7195 -3.7106 -3.6932 -3.6896 -3.6863 -3.6764 -3.6702 -3.6638 -3.6553 -3.6496 -3.6445 -3.6429 -3.6326 -3.6282 -3.6237 -3.6169 -3.6138 -3.6070 -3.5945 -3.5768 -3.5656 -3.5585 -3.5458 -3.5349 -3.5204 -3.5084 -3.4945 -3.4871 -3.4819 -3.4769 -3.4690 -3.4580 -3.4524 -3.4484 -3.4329 -3.4282 -3.4230 -3.4154 -3.4089 -3.3946 -3.3892 -3.3811 -3.3744 -3.3691 -3.3639 -3.3625 -3.3587 -3.3481 -3.3442 -3.3395 -3.3337 -3.3292 -3.3230 -3.3167 -3.3147 -3.3111 -3.3027 -3.2996 -3.2797 -3.2679 -3.2638 -3.2600 -3.2569 -3.2395 -3.2337 -3.2235 -3.2172 -3.2111 -3.2048 -3.1936 -3.1882 -3.1737 -3.1654 -3.1526 -3.1447 -3.1378 -3.1294 -3.1249 -3.1194 -3.1149 -3.1063 -3.0970 -3.0945 -3.0876 -3.0813 -3.0791 -3.0690 -3.0621 -3.0399 -3.0280 -3.0100 -3.0048 -2.9990 -2.9892 -2.9793 -2.9743 -2.9686 -2.9600 -2.9578 -2.9549 -2.9508 -2.9464 -2.9401 -2.9356 -2.9320 -2.9274 -2.9234 -2.9147 -2.9103 -2.9085 -2.9021 -2.8957 -2.8901 -2.8845 -2.8803 -2.8730 -2.8687 -2.8645 -2.8593 -2.8465 -2.8441 -2.8361 -2.8306 -2.8196 -2.8092 -2.8033 -2.7747 -2.7625 -2.7464 -2.7390 -2.7127 -2.7048 -2.6911 -2.6754 -2.6526 -2.6243 -2.6193 -2.2249 -2.1586 -2.1090 -2.0972 -1.9545 -1.9030 -1.7321 -1.7192 -1.6678 -1.5919 -1.5099 -1.4581 -1.4227 -1.3998 -1.2914 -1.2594 -1.1137 -0.7550 -0.7081 -0.5863 -0.5601 -0.5506 -0.5375 -0.3869 -0.3310 -0.1835 -0.0314 -0.0028 0.0676 0.1623 0.2499 0.3269 0.3932 0.4866 0.5090 0.6436 0.7375 0.8395 0.9266 0.9448 0.9652 1.2572 1.7098 1.7670 1.7752 2.0074 2.2663 2.3114 2.4489 2.7179 2.8360 2.8636 2.9020 2.9397 2.9922 3.0708 3.2124 3.2780 3.3111 3.4011 3.4806 3.7331 3.7903 3.9568 4.0300 4.0789 4.1312 4.1945 4.2320 4.2712 4.2804 4.3134 4.3947 4.4990 4.5587 4.6638 4.7457 4.7535 4.8076 4.8413 4.8909 4.9484 5.0074 5.0409 5.0499 5.1327 5.1832 5.2058 5.3026 5.3365 5.3665 5.4428 5.5446 5.7074 5.7356 5.8131 5.8458 5.8923 5.9304 5.9778 6.0129 6.0868 6.1562 6.1850 6.2671 6.3010 6.4066 6.4235 6.4699 6.5348 6.5673 6.6077 6.6785 6.7158 6.7592 6.8178 6.8444 6.8771 6.9069 6.9952 7.0250 7.0901 7.1239 7.1540 7.1910 7.2174 7.2786 7.2979 7.3423 7.3673 7.4371 7.4680 7.4961 7.5464 7.6022 7.6312 7.7041 7.7364 7.7992 7.8661 7.8729 7.9295 8.0198 8.0392 8.0878 8.1637 8.1908 8.2710 8.2940 8.3316 8.3677 8.4160 8.4577 8.4726 8.5080 8.5442 8.5818 8.6682 8.7220 8.7884 8.8118 8.8558 8.8776 8.9353 8.9572 9.0128 9.0462 9.0727 9.0992 9.1460 9.2227 9.2482 9.2555 9.3289 9.4116 9.4197 9.4703 9.4959 9.5352 9.5850 9.6013 9.6552 9.7220 9.7548 9.7751 9.8101 9.8614 9.9135 9.9400 9.9791 10.0050 10.0905 10.1505 10.1850 10.2409 10.2963 10.3451 10.3715 10.4220 10.4340 10.4883 10.5393 10.5610 10.5946 10.6497 -16.5594 -16.5366 -16.4921 -16.4359 -16.3136 -9.4806 -9.1063 -8.3918 -8.3860 -8.3034 -7.9637 -7.3557 -7.3260 -7.1427 -7.1306 -6.8821 -6.7013 -6.6266 -6.6210 -6.5929 -6.4477 -6.3692 -6.2873 -6.2355 -6.2109 -6.1068 -6.1027 -6.0407 -5.9809 -5.9352 -5.8816 -5.8694 -5.8229 -5.8138 -5.7906 -5.7621 -5.7511 -5.7138 -5.6981 -5.6796 -5.6368 -5.6202 -5.6115 -5.5930 -5.5371 -5.5016 -5.4646 -5.4468 -5.4246 -5.4103 -5.3877 -5.3614 -5.3483 -5.3330 -5.3233 -5.3172 -5.3101 -5.3016 -5.2912 -5.2859 -5.2681 -5.2545 -5.2425 -5.2325 -5.2221 -5.2190 -5.2026 -5.1958 -5.1590 -5.1475 -5.1303 -5.1118 -5.1023 -5.0859 -5.0717 -5.0662 -5.0601 -5.0531 -5.0425 -5.0341 -5.0291 -5.0091 -4.9903 -4.9681 -4.9544 -4.9156 -4.8929 -4.8912 -4.8766 -4.8647 -4.8526 -4.8305 -4.8085 -4.8050 -4.7947 -4.7922 -4.7813 -4.7719 -4.7586 -4.7524 -4.7428 -4.7367 -4.7277 -4.7115 -4.7039 -4.6853 -4.6762 -4.6583 -4.6405 -4.6222 -4.6062 -4.5949 -4.5914 -4.5820 -4.5777 -4.5729 -4.5562 -4.5345 -4.5287 -4.5144 -4.5033 -4.4963 -4.4754 -4.4546 -4.4268 -4.4115 -4.4045 -4.3945 -4.3835 -4.3720 -4.3677 -4.3637 -4.3609 -4.3482 -4.3347 -4.3274 -4.3184 -4.3077 -4.2991 -4.2900 -4.2869 -4.2685 -4.2610 -4.2539 -4.2447 -4.2359 -4.2297 -4.2202 -4.2170 -4.2074 -4.1961 -4.1815 -4.1736 -4.1637 -4.1627 -4.1593 -4.1500 -4.1402 -4.1334 -4.1259 -4.1208 -4.1151 -4.1062 -4.1045 -4.0996 -4.0941 -4.0930 -4.0867 -4.0827 -4.0769 -4.0708 -4.0657 -4.0634 -4.0569 -4.0512 -4.0485 -4.0407 -4.0347 -4.0326 -4.0260 -4.0233 -4.0189 -4.0162 -4.0073 -3.9934 -3.9917 -3.9818 -3.9791 -3.9745 -3.9694 -3.9608 -3.9484 -3.9414 -3.9356 -3.9304 -3.9217 -3.9175 -3.9051 -3.8966 -3.8882 -3.8809 -3.8743 -3.8622 -3.8570 -3.8455 -3.8300 -3.8222 -3.8139 -3.7975 -3.7948 -3.7810 -3.7695 -3.7555 -3.7545 -3.7440 -3.7320 -3.7185 -3.7016 -3.6886 -3.6806 -3.6717 -3.6616 -3.6588 -3.6521 -3.6473 -3.6411 -3.6369 -3.6299 -3.6255 -3.6202 -3.6177 -3.6120 -3.5986 -3.5874 -3.5842 -3.5769 -3.5712 -3.5483 -3.5442 -3.5267 -3.5240 -3.5145 -3.5047 -3.5011 -3.4902 -3.4833 -3.4704 -3.4677 -3.4550 -3.4410 -3.4291 -3.4123 -3.4074 -3.4001 -3.3903 -3.3842 -3.3817 -3.3796 -3.3591 -3.3560 -3.3486 -3.3428 -3.3398 -3.3367 -3.3304 -3.3276 -3.3201 -3.3150 -3.3040 -3.3018 -3.2889 -3.2820 -3.2750 -3.2583 -3.2536 -3.2483 -3.2440 -3.2370 -3.2286 -3.2213 -3.2156 -3.2019 -3.1991 -3.1946 -3.1899 -3.1803 -3.1707 -3.1628 -3.1561 -3.1510 -3.1461 -3.1396 -3.1351 -3.1199 -3.1120 -3.1043 -3.0921 -3.0873 -3.0857 -3.0795 -3.0749 -3.0659 -3.0544 -3.0457 -3.0433 -3.0372 -3.0296 -3.0246 -3.0195 -3.0159 -3.0129 -3.0079 -3.0061 -2.9994 -2.9954 -2.9920 -2.9839 -2.9796 -2.9716 -2.9670 -2.9656 -2.9583 -2.9517 -2.9472 -2.9434 -2.9377 -2.9362 -2.9317 -2.9271 -2.9217 -2.9156 -2.9066 -2.9060 -2.9007 -2.8969 -2.8895 -2.8839 -2.8791 -2.8636 -2.8566 -2.8438 -2.8391 -2.8233 -2.8118 -2.7944 -2.7871 -2.7599 -2.7303 -2.7078 -2.7057 -2.6908 -2.6744 -2.6356 -2.6209 -2.5933 -2.5751 -2.5204 -2.4780 -2.4231 -2.2652 -2.2044 -2.0830 -1.9670 -1.8864 -1.5329 -1.4659 -1.4429 -1.4143 -1.3949 -1.2822 -1.2042 -1.0777 -1.0086 -0.8929 -0.7796 -0.7230 -0.6923 -0.6219 -0.5061 -0.3962 -0.1628 -0.0052 0.2351 0.4138 0.5278 0.5469 0.5896 0.6904 0.7911 0.9919 1.1541 1.1926 1.3083 1.3445 1.3888 1.4293 1.5215 1.6328 1.7343 1.9077 2.0211 2.0407 2.1101 2.2253 2.3982 2.4115 2.6734 2.7080 3.0449 3.1261 3.1850 3.2242 3.3529 3.3842 3.5111 3.5603 3.5940 3.6374 3.7059 3.7522 3.8313 3.8744 3.9240 3.9946 4.0866 4.1522 4.1911 4.2280 4.3153 4.4430 4.4627 4.5563 4.6784 4.7474 4.7626 4.8369 4.8598 4.9629 5.0047 5.0502 5.0949 5.1641 5.1977 5.2656 5.3419 5.3963 5.4378 5.5091 5.5446 5.6060 5.6430 5.7389 5.7839 5.8149 5.8999 5.9608 6.0330 6.0557 6.1270 6.1771 6.2230 6.2872 6.3281 6.4057 6.4909 6.5739 6.6056 6.6361 6.6737 6.7205 6.7415 6.8462 6.8782 6.9065 6.9640 6.9931 7.0264 7.0898 7.1642 7.2301 7.2537 7.3327 7.3835 7.4392 7.4706 7.5063 7.5218 7.5627 7.6141 7.7321 7.7595 7.8090 7.8372 7.8628 7.9355 7.9913 8.0327 8.1005 8.1439 8.1855 8.2413 8.2813 8.3133 8.3369 8.3802 8.4034 8.4401 8.4936 8.5174 8.5705 8.6296 8.6393 8.6936 8.7622 8.7727 8.8248 8.8737 8.9192 8.9545 8.9944 9.0750 9.1439 9.1773 9.2125 9.2722 9.2861 9.3380 9.3677 9.4320 9.4621 9.4843 9.5327 9.6015 9.6272 9.7091 9.7737 9.7862 9.8684 9.9017 9.9375 9.9631 10.0181 10.0295 10.0769 10.1152 10.1450 10.1969 10.2253 10.2562 10.3006 10.3298 10.3807 10.4318 10.4761 10.5355 10.5556 10.5791 10.6085 10.6593 10.6711 -16.5653 -16.5432 -16.4762 -16.4325 -16.3204 -9.4810 -9.1069 -8.3932 -8.3831 -8.3045 -7.9656 -7.3508 -7.3260 -7.1441 -7.1286 -6.8859 -6.6993 -6.6323 -6.6232 -6.5933 -6.4482 -6.3651 -6.2808 -6.2268 -6.1756 -6.1193 -6.0967 -6.0643 -5.9768 -5.9197 -5.9011 -5.8780 -5.8303 -5.8131 -5.7918 -5.7654 -5.7375 -5.7170 -5.6883 -5.6756 -5.6566 -5.6223 -5.6164 -5.5798 -5.5543 -5.5379 -5.4917 -5.4556 -5.4194 -5.4103 -5.3971 -5.3443 -5.3329 -5.3248 -5.3154 -5.3076 -5.3009 -5.2927 -5.2850 -5.2742 -5.2628 -5.2539 -5.2411 -5.2308 -5.2199 -5.2077 -5.2041 -5.1837 -5.1692 -5.1532 -5.1294 -5.1149 -5.0995 -5.0902 -5.0786 -5.0675 -5.0583 -5.0530 -5.0415 -5.0359 -5.0202 -4.9964 -4.9700 -4.9589 -4.9414 -4.9309 -4.9158 -4.8808 -4.8766 -4.8638 -4.8568 -4.8333 -4.8146 -4.8033 -4.7914 -4.7840 -4.7777 -4.7719 -4.7615 -4.7532 -4.7489 -4.7311 -4.7221 -4.7155 -4.7031 -4.6910 -4.6795 -4.6755 -4.6592 -4.6430 -4.6090 -4.5995 -4.5935 -4.5864 -4.5784 -4.5734 -4.5498 -4.5355 -4.5251 -4.5202 -4.5035 -4.5015 -4.4823 -4.4471 -4.4323 -4.4218 -4.4031 -4.3919 -4.3856 -4.3790 -4.3744 -4.3610 -4.3557 -4.3444 -4.3417 -4.3354 -4.3175 -4.3078 -4.2906 -4.2871 -4.2829 -4.2697 -4.2649 -4.2510 -4.2487 -4.2308 -4.2252 -4.2173 -4.2112 -4.1996 -4.1952 -4.1876 -4.1787 -4.1675 -4.1627 -4.1567 -4.1497 -4.1405 -4.1337 -4.1253 -4.1185 -4.1132 -4.1104 -4.1036 -4.1003 -4.0945 -4.0884 -4.0859 -4.0830 -4.0752 -4.0719 -4.0670 -4.0628 -4.0571 -4.0523 -4.0456 -4.0432 -4.0342 -4.0306 -4.0253 -4.0214 -4.0167 -4.0122 -4.0061 -3.9966 -3.9873 -3.9844 -3.9786 -3.9736 -3.9690 -3.9584 -3.9439 -3.9420 -3.9292 -3.9212 -3.9159 -3.9140 -3.9050 -3.8996 -3.8874 -3.8760 -3.8643 -3.8565 -3.8466 -3.8362 -3.8284 -3.8147 -3.8057 -3.8026 -3.7914 -3.7878 -3.7689 -3.7597 -3.7470 -3.7315 -3.7228 -3.7150 -3.7080 -3.7000 -3.6851 -3.6798 -3.6767 -3.6670 -3.6601 -3.6498 -3.6423 -3.6391 -3.6353 -3.6296 -3.6251 -3.6170 -3.6092 -3.6036 -3.5923 -3.5756 -3.5710 -3.5627 -3.5579 -3.5403 -3.5282 -3.5192 -3.5130 -3.5077 -3.5059 -3.4948 -3.4877 -3.4713 -3.4654 -3.4522 -3.4440 -3.4332 -3.4187 -3.4075 -3.4013 -3.3919 -3.3875 -3.3825 -3.3740 -3.3692 -3.3556 -3.3487 -3.3468 -3.3432 -3.3411 -3.3334 -3.3252 -3.3193 -3.3125 -3.3027 -3.3004 -3.2875 -3.2791 -3.2743 -3.2602 -3.2522 -3.2461 -3.2449 -3.2388 -3.2321 -3.2232 -3.2092 -3.2034 -3.1976 -3.1901 -3.1883 -3.1793 -3.1708 -3.1617 -3.1563 -3.1532 -3.1474 -3.1356 -3.1279 -3.1180 -3.1091 -3.1064 -3.0982 -3.0889 -3.0857 -3.0803 -3.0741 -3.0659 -3.0592 -3.0500 -3.0431 -3.0353 -3.0319 -3.0225 -3.0201 -3.0130 -3.0099 -3.0047 -3.0033 -3.0009 -2.9954 -2.9923 -2.9821 -2.9793 -2.9706 -2.9675 -2.9628 -2.9610 -2.9460 -2.9425 -2.9379 -2.9373 -2.9339 -2.9309 -2.9275 -2.9219 -2.9169 -2.9130 -2.9054 -2.8981 -2.8962 -2.8884 -2.8812 -2.8741 -2.8658 -2.8538 -2.8440 -2.8348 -2.8265 -2.8166 -2.8081 -2.7937 -2.7747 -2.7478 -2.7339 -2.6905 -2.6850 -2.6668 -2.6491 -2.6156 -2.6030 -2.5543 -2.5359 -2.5112 -2.3512 -2.2937 -2.1401 -2.1264 -1.9811 -1.9340 -1.5097 -1.4511 -1.4255 -1.3855 -1.3716 -1.3286 -1.2436 -1.0660 -0.9434 -0.8600 -0.7823 -0.7170 -0.6889 -0.6045 -0.5284 -0.4571 -0.1112 -0.0815 0.3190 0.4789 0.5401 0.5573 0.5833 0.7369 0.7696 0.9453 1.0589 1.1574 1.3238 1.3299 1.3791 1.4557 1.5149 1.5682 1.8036 1.8402 1.8747 2.0557 2.1345 2.2835 2.3801 2.4235 2.6757 2.8398 3.0533 3.1075 3.2065 3.2529 3.3341 3.4196 3.4762 3.5246 3.6021 3.6469 3.7108 3.7385 3.7715 3.8224 3.9138 4.0332 4.0845 4.1776 4.2024 4.2646 4.3476 4.4551 4.4845 4.5780 4.6550 4.7238 4.7719 4.8219 4.9098 4.9328 4.9566 5.0458 5.1167 5.1597 5.2318 5.3522 5.3847 5.4234 5.4498 5.5019 5.5347 5.5966 5.6181 5.6718 5.7532 5.8513 5.8973 5.9710 6.0225 6.0484 6.1137 6.1744 6.2477 6.3090 6.3662 6.3781 6.4257 6.5168 6.5504 6.6009 6.6284 6.7124 6.7588 6.7851 6.8769 6.8978 6.9654 7.0244 7.0544 7.0992 7.1782 7.2283 7.2734 7.3363 7.4136 7.4501 7.4690 7.4851 7.5450 7.6171 7.6430 7.6931 7.7596 7.8033 7.8146 7.8685 7.9427 7.9652 8.0479 8.0681 8.1602 8.2014 8.2430 8.2762 8.3113 8.3412 8.3722 8.4083 8.4494 8.5078 8.5335 8.5594 8.5997 8.6637 8.6803 8.7298 8.7607 8.8017 8.8649 8.8937 8.9509 8.9893 9.0694 9.1539 9.1958 9.2262 9.2634 9.3107 9.3392 9.3926 9.4270 9.4628 9.5175 9.5759 9.6316 9.6574 9.6765 9.7353 9.7597 9.7977 9.8365 9.8829 9.9438 9.9816 10.0038 10.0668 10.1055 10.1206 10.2155 10.2710 10.2769 10.3477 10.3698 10.4101 10.4257 10.4994 10.5286 10.5646 10.6311 10.6428 10.6835 10.7070 -16.5823 -16.5155 -16.4712 -16.4515 -16.3172 -9.7097 -8.6011 -8.5152 -8.2587 -8.2489 -7.6155 -7.6050 -7.5220 -7.3250 -7.2381 -7.2235 -7.0556 -6.7515 -6.7309 -6.5539 -6.3175 -6.1992 -6.1900 -6.1612 -6.1060 -6.0633 -5.9934 -5.9685 -5.9377 -5.8978 -5.8584 -5.8265 -5.7970 -5.7827 -5.7669 -5.7515 -5.7141 -5.6883 -5.6724 -5.6470 -5.5840 -5.5675 -5.5422 -5.5363 -5.5139 -5.4752 -5.4524 -5.4201 -5.4139 -5.3970 -5.3909 -5.3832 -5.3798 -5.3716 -5.3647 -5.3502 -5.3265 -5.3125 -5.3105 -5.2932 -5.2804 -5.2737 -5.2520 -5.2493 -5.2400 -5.2272 -5.2095 -5.1922 -5.1689 -5.1660 -5.1431 -5.1299 -5.1161 -5.1000 -5.0850 -5.0587 -5.0473 -5.0312 -5.0143 -5.0048 -4.9949 -4.9838 -4.9661 -4.9535 -4.9439 -4.9189 -4.9071 -4.8838 -4.8750 -4.8650 -4.8612 -4.8453 -4.8343 -4.8230 -4.8001 -4.7837 -4.7740 -4.7557 -4.7396 -4.7315 -4.7245 -4.7125 -4.7117 -4.7016 -4.6950 -4.6775 -4.6584 -4.6460 -4.6320 -4.6237 -4.6087 -4.5995 -4.5893 -4.5748 -4.5699 -4.5639 -4.5615 -4.5589 -4.5523 -4.5370 -4.5293 -4.5207 -4.5141 -4.4994 -4.4712 -4.4674 -4.4166 -4.4052 -4.4001 -4.3950 -4.3853 -4.3795 -4.3724 -4.3467 -4.3337 -4.3254 -4.3183 -4.3084 -4.3031 -4.2950 -4.2896 -4.2841 -4.2816 -4.2786 -4.2679 -4.2590 -4.2539 -4.2455 -4.2277 -4.2226 -4.2143 -4.2052 -4.1944 -4.1778 -4.1755 -4.1638 -4.1564 -4.1416 -4.1384 -4.1310 -4.1290 -4.1224 -4.1203 -4.1112 -4.1092 -4.1013 -4.0995 -4.0881 -4.0722 -4.0575 -4.0430 -4.0392 -4.0335 -4.0300 -4.0232 -4.0151 -4.0137 -4.0099 -4.0044 -3.9985 -3.9922 -3.9914 -3.9831 -3.9811 -3.9727 -3.9712 -3.9651 -3.9529 -3.9513 -3.9473 -3.9454 -3.9386 -3.9334 -3.9218 -3.9101 -3.9080 -3.9006 -3.8902 -3.8844 -3.8791 -3.8724 -3.8690 -3.8642 -3.8550 -3.8503 -3.8467 -3.8411 -3.8329 -3.8227 -3.8170 -3.8095 -3.7956 -3.7813 -3.7643 -3.7481 -3.7411 -3.7299 -3.7259 -3.7180 -3.7132 -3.7008 -3.6871 -3.6838 -3.6731 -3.6688 -3.6599 -3.6548 -3.6480 -3.6435 -3.6371 -3.6348 -3.6299 -3.6263 -3.6234 -3.6109 -3.6034 -3.5883 -3.5848 -3.5683 -3.5614 -3.5444 -3.5313 -3.5282 -3.5117 -3.4918 -3.4866 -3.4809 -3.4749 -3.4711 -3.4590 -3.4533 -3.4430 -3.4331 -3.4276 -3.4210 -3.4140 -3.4037 -3.4011 -3.3906 -3.3792 -3.3764 -3.3686 -3.3647 -3.3598 -3.3548 -3.3473 -3.3451 -3.3399 -3.3341 -3.3278 -3.3235 -3.3162 -3.3139 -3.3090 -3.3015 -3.3005 -3.2806 -3.2667 -3.2627 -3.2602 -3.2509 -3.2475 -3.2371 -3.2273 -3.2148 -3.2088 -3.2056 -3.1925 -3.1835 -3.1716 -3.1638 -3.1529 -3.1493 -3.1431 -3.1305 -3.1268 -3.1235 -3.1106 -3.1030 -3.0950 -3.0914 -3.0882 -3.0818 -3.0784 -3.0691 -3.0601 -3.0360 -3.0326 -3.0130 -3.0017 -2.9972 -2.9937 -2.9785 -2.9723 -2.9682 -2.9610 -2.9592 -2.9537 -2.9498 -2.9444 -2.9423 -2.9359 -2.9337 -2.9275 -2.9214 -2.9164 -2.9105 -2.9079 -2.9005 -2.8976 -2.8899 -2.8881 -2.8795 -2.8757 -2.8695 -2.8634 -2.8574 -2.8512 -2.8426 -2.8349 -2.8326 -2.8149 -2.8079 -2.8009 -2.7741 -2.7634 -2.7352 -2.7272 -2.7140 -2.7114 -2.7012 -2.6899 -2.6581 -2.6368 -2.6073 -2.2303 -2.1314 -2.1168 -2.0965 -1.9940 -1.8660 -1.7421 -1.7039 -1.6461 -1.5875 -1.5302 -1.4879 -1.4254 -1.3898 -1.2868 -1.2751 -1.0908 -0.7407 -0.7241 -0.6207 -0.5617 -0.5448 -0.5260 -0.4098 -0.2973 -0.1967 -0.0352 0.0392 0.0764 0.1469 0.2442 0.2966 0.3876 0.4684 0.6057 0.6386 0.6741 0.8513 0.8627 0.9380 1.0666 1.2001 1.6818 1.8124 1.8558 2.0211 2.1968 2.3458 2.4526 2.6972 2.8351 2.8486 2.8907 2.9523 2.9782 3.0562 3.2081 3.2624 3.3465 3.4121 3.4739 3.6799 3.8255 3.9784 4.0201 4.0336 4.1306 4.1834 4.2471 4.2828 4.2919 4.3185 4.3848 4.4950 4.5698 4.6648 4.7056 4.7484 4.8168 4.8480 4.8902 4.9312 4.9856 5.0422 5.0799 5.1366 5.1595 5.2349 5.2773 5.3146 5.4031 5.4381 5.5507 5.6749 5.7656 5.8152 5.8391 5.9091 5.9585 6.0037 6.0738 6.1105 6.1356 6.1782 6.2447 6.3228 6.3682 6.3984 6.4978 6.5276 6.5752 6.6134 6.6788 6.7106 6.7743 6.8070 6.8525 6.9014 6.9284 6.9854 7.0072 7.0390 7.0859 7.1567 7.1827 7.2342 7.2584 7.3035 7.3653 7.3945 7.4210 7.4487 7.4911 7.5397 7.6280 7.6332 7.6807 7.7063 7.7909 7.8273 7.8687 7.9599 8.0150 8.0544 8.1338 8.1734 8.2514 8.2950 8.3065 8.3458 8.3963 8.4396 8.4441 8.4879 8.5159 8.5663 8.5975 8.6220 8.6804 8.7247 8.7827 8.8551 8.8828 8.9177 8.9851 9.0097 9.0565 9.0983 9.1335 9.1640 9.2212 9.2411 9.2696 9.3239 9.3666 9.3811 9.4534 9.4841 9.5237 9.5538 9.6068 9.6721 9.6923 9.7399 9.7946 9.8532 9.8683 9.9232 9.9844 10.0277 10.0500 10.0777 10.1246 10.1994 10.2226 10.2563 10.2849 10.3271 10.3852 10.4473 10.4806 10.5052 10.5573 10.5943 10.6127 -16.5700 -16.5249 -16.4831 -16.4474 -16.3124 -9.5566 -8.8172 -8.8115 -8.3734 -7.7927 -7.7846 -7.7117 -7.6989 -6.9577 -6.9518 -6.9408 -6.8790 -6.8367 -6.6397 -6.4583 -6.4379 -6.3402 -6.2704 -6.1314 -6.1248 -6.0968 -6.0702 -6.0562 -6.0254 -5.9798 -5.8675 -5.8552 -5.8264 -5.8121 -5.7801 -5.7622 -5.7317 -5.7063 -5.6951 -5.6738 -5.6465 -5.6180 -5.5952 -5.5540 -5.5308 -5.5056 -5.4861 -5.4559 -5.4515 -5.4450 -5.4098 -5.3694 -5.3532 -5.3507 -5.3411 -5.3285 -5.3022 -5.2997 -5.2758 -5.2580 -5.2403 -5.2378 -5.2188 -5.2099 -5.1988 -5.1941 -5.1833 -5.1701 -5.1636 -5.1524 -5.1466 -5.1428 -5.1299 -5.1149 -5.1032 -5.0879 -5.0838 -5.0536 -5.0272 -5.0043 -4.9966 -4.9891 -4.9552 -4.9432 -4.9307 -4.9134 -4.9080 -4.9001 -4.8862 -4.8772 -4.8617 -4.8478 -4.8376 -4.8256 -4.8148 -4.8039 -4.7905 -4.7795 -4.7631 -4.7458 -4.7374 -4.7261 -4.7112 -4.6985 -4.6917 -4.6857 -4.6512 -4.6489 -4.6443 -4.6370 -4.6169 -4.6107 -4.6012 -4.5756 -4.5681 -4.5568 -4.5415 -4.5256 -4.5089 -4.5065 -4.5048 -4.4897 -4.4545 -4.4414 -4.4343 -4.4311 -4.4225 -4.4030 -4.3926 -4.3727 -4.3645 -4.3580 -4.3542 -4.3473 -4.3403 -4.3297 -4.3241 -4.3172 -4.3109 -4.3047 -4.2947 -4.2831 -4.2719 -4.2651 -4.2573 -4.2489 -4.2366 -4.2304 -4.2162 -4.2114 -4.2047 -4.1927 -4.1892 -4.1840 -4.1804 -4.1705 -4.1591 -4.1552 -4.1504 -4.1312 -4.1293 -4.1213 -4.1160 -4.1089 -4.1076 -4.1050 -4.1026 -4.1009 -4.0936 -4.0871 -4.0791 -4.0690 -4.0607 -4.0586 -4.0492 -4.0421 -4.0357 -4.0304 -4.0242 -4.0097 -4.0039 -4.0005 -3.9945 -3.9897 -3.9843 -3.9738 -3.9655 -3.9589 -3.9557 -3.9417 -3.9354 -3.9303 -3.9268 -3.9206 -3.9095 -3.9037 -3.9001 -3.8936 -3.8879 -3.8854 -3.8818 -3.8743 -3.8684 -3.8582 -3.8423 -3.8327 -3.8183 -3.8018 -3.7927 -3.7768 -3.7628 -3.7526 -3.7455 -3.7412 -3.7349 -3.7161 -3.7139 -3.7086 -3.6960 -3.6871 -3.6801 -3.6746 -3.6677 -3.6623 -3.6573 -3.6461 -3.6408 -3.6380 -3.6326 -3.6248 -3.6194 -3.6114 -3.6083 -3.6058 -3.5989 -3.5884 -3.5791 -3.5732 -3.5675 -3.5549 -3.5402 -3.5314 -3.5290 -3.5122 -3.5013 -3.4946 -3.4882 -3.4817 -3.4583 -3.4468 -3.4397 -3.4231 -3.4129 -3.3984 -3.3935 -3.3848 -3.3756 -3.3682 -3.3624 -3.3583 -3.3513 -3.3462 -3.3404 -3.3321 -3.3253 -3.3193 -3.3171 -3.3076 -3.3062 -3.2962 -3.2921 -3.2887 -3.2809 -3.2789 -3.2692 -3.2594 -3.2561 -3.2466 -3.2342 -3.2268 -3.2169 -3.2104 -3.2029 -3.1986 -3.1946 -3.1888 -3.1837 -3.1756 -3.1706 -3.1606 -3.1572 -3.1522 -3.1401 -3.1244 -3.1182 -3.1114 -3.1093 -3.1074 -3.0983 -3.0960 -3.0830 -3.0761 -3.0702 -3.0596 -3.0560 -3.0426 -3.0365 -3.0323 -3.0208 -3.0158 -3.0058 -3.0017 -2.9932 -2.9913 -2.9841 -2.9806 -2.9780 -2.9725 -2.9686 -2.9623 -2.9616 -2.9575 -2.9534 -2.9506 -2.9471 -2.9448 -2.9343 -2.9285 -2.9276 -2.9161 -2.9122 -2.9057 -2.9017 -2.8976 -2.8851 -2.8805 -2.8777 -2.8746 -2.8691 -2.8631 -2.8359 -2.8305 -2.8197 -2.8037 -2.7994 -2.7697 -2.7498 -2.7417 -2.7335 -2.7233 -2.6984 -2.6870 -2.6605 -2.6029 -2.5917 -2.5277 -2.3586 -2.2438 -2.1930 -2.1260 -2.0995 -2.0915 -2.0579 -1.8577 -1.7117 -1.6134 -1.5793 -1.4780 -1.4052 -1.3876 -1.2185 -1.1743 -0.8793 -0.7298 -0.6276 -0.5473 -0.5292 -0.4861 -0.2279 -0.0966 -0.0509 -0.0034 0.0822 0.1696 0.2472 0.3054 0.4267 0.5349 0.5457 0.7226 0.9102 0.9870 1.1986 1.3538 1.4187 1.5042 1.5525 1.6760 1.7810 1.7999 1.9389 2.2722 2.3317 2.3866 2.4070 2.5344 2.8017 2.8418 2.9860 3.0223 3.2632 3.3118 3.3728 3.4127 3.4547 3.4783 3.5790 3.6515 3.6873 3.7114 3.7515 3.8093 3.8633 3.9963 4.0858 4.1503 4.2305 4.3649 4.4043 4.4826 4.5701 4.6134 4.6812 4.6981 4.7583 4.8194 4.9069 4.9246 5.0160 5.0762 5.1185 5.1830 5.2305 5.3245 5.3702 5.4082 5.4395 5.5491 5.5973 5.6495 5.6647 5.7385 5.7751 5.8871 5.9098 5.9839 6.0282 6.0578 6.1327 6.1875 6.2494 6.3215 6.3530 6.3956 6.4647 6.4929 6.5228 6.5426 6.6161 6.6717 6.6968 6.8062 6.8818 6.9361 6.9922 7.0073 7.0761 7.1717 7.2343 7.2713 7.3177 7.3667 7.4496 7.4988 7.5499 7.5855 7.6242 7.6494 7.6833 7.7184 7.7618 7.7880 7.8022 7.8409 7.8690 7.9313 7.9556 7.9931 8.0429 8.0980 8.1494 8.1822 8.1960 8.2575 8.2739 8.3470 8.4174 8.4824 8.5152 8.5913 8.6392 8.6788 8.6996 8.7550 8.8021 8.8754 8.9428 8.9973 9.0374 9.0713 9.0866 9.1089 9.1460 9.1919 9.2491 9.3303 9.3608 9.3961 9.4548 9.4578 9.4880 9.5272 9.5423 9.6137 9.6552 9.6917 9.7773 9.8047 9.8408 9.8691 9.9288 9.9466 9.9581 9.9822 10.0398 10.0915 10.1179 10.1497 10.1775 10.2348 10.2801 10.3149 10.3831 10.4176 10.4371 10.5145 10.5266 10.5837 10.6441 10.6753 -16.5750 -16.5221 -16.4842 -16.4396 -16.3167 -9.5569 -8.8168 -8.8120 -8.3742 -7.7913 -7.7853 -7.7068 -7.7035 -6.9609 -6.9529 -6.9349 -6.8700 -6.8485 -6.6368 -6.4634 -6.4475 -6.3271 -6.2586 -6.1337 -6.1148 -6.0979 -6.0615 -6.0501 -6.0170 -5.9566 -5.9161 -5.8630 -5.8440 -5.8125 -5.8007 -5.7666 -5.7446 -5.7076 -5.6777 -5.6560 -5.6348 -5.6124 -5.5624 -5.5532 -5.5444 -5.5342 -5.4968 -5.4819 -5.4519 -5.4419 -5.4296 -5.3671 -5.3536 -5.3495 -5.3388 -5.3117 -5.2922 -5.2772 -5.2616 -5.2492 -5.2414 -5.2292 -5.2144 -5.2078 -5.2043 -5.1847 -5.1807 -5.1713 -5.1675 -5.1588 -5.1445 -5.1411 -5.1318 -5.1177 -5.1131 -5.0884 -5.0818 -5.0646 -5.0419 -5.0024 -4.9792 -4.9723 -4.9533 -4.9483 -4.9317 -4.9249 -4.9088 -4.8990 -4.8835 -4.8696 -4.8636 -4.8448 -4.8357 -4.8281 -4.8103 -4.8025 -4.7884 -4.7748 -4.7606 -4.7495 -4.7427 -4.7242 -4.7142 -4.6978 -4.6916 -4.6798 -4.6684 -4.6502 -4.6427 -4.6397 -4.6292 -4.6122 -4.6060 -4.5775 -4.5703 -4.5634 -4.5569 -4.5224 -4.5129 -4.5088 -4.5031 -4.4868 -4.4513 -4.4464 -4.4362 -4.4269 -4.4156 -4.3989 -4.3914 -4.3754 -4.3663 -4.3619 -4.3552 -4.3458 -4.3394 -4.3291 -4.3210 -4.3157 -4.3135 -4.3050 -4.2996 -4.2847 -4.2712 -4.2671 -4.2527 -4.2453 -4.2423 -4.2258 -4.2188 -4.2086 -4.1966 -4.1912 -4.1894 -4.1860 -4.1784 -4.1743 -4.1605 -4.1576 -4.1459 -4.1372 -4.1289 -4.1205 -4.1125 -4.1089 -4.1066 -4.1054 -4.1013 -4.1003 -4.0958 -4.0902 -4.0780 -4.0711 -4.0638 -4.0541 -4.0458 -4.0451 -4.0377 -4.0265 -4.0167 -4.0097 -4.0077 -3.9990 -3.9937 -3.9912 -3.9848 -3.9714 -3.9630 -3.9594 -3.9524 -3.9476 -3.9405 -3.9314 -3.9253 -3.9190 -3.9094 -3.9007 -3.8976 -3.8921 -3.8879 -3.8851 -3.8817 -3.8751 -3.8663 -3.8595 -3.8370 -3.8326 -3.8019 -3.7973 -3.7803 -3.7743 -3.7615 -3.7543 -3.7433 -3.7391 -3.7320 -3.7250 -3.7130 -3.7060 -3.6988 -3.6935 -3.6831 -3.6726 -3.6658 -3.6633 -3.6556 -3.6481 -3.6456 -3.6382 -3.6330 -3.6263 -3.6179 -3.6162 -3.6104 -3.6017 -3.5948 -3.5899 -3.5834 -3.5744 -3.5678 -3.5543 -3.5467 -3.5288 -3.5203 -3.5167 -3.5053 -3.4916 -3.4887 -3.4749 -3.4651 -3.4530 -3.4392 -3.4231 -3.4181 -3.4016 -3.3957 -3.3865 -3.3788 -3.3771 -3.3654 -3.3584 -3.3515 -3.3446 -3.3385 -3.3331 -3.3286 -3.3224 -3.3123 -3.3082 -3.3047 -3.2977 -3.2957 -3.2876 -3.2804 -3.2713 -3.2681 -3.2619 -3.2532 -3.2480 -3.2370 -3.2317 -3.2207 -3.2094 -3.2023 -3.1958 -3.1922 -3.1831 -3.1783 -3.1734 -3.1656 -3.1623 -3.1577 -3.1566 -3.1453 -3.1228 -3.1140 -3.1111 -3.1086 -3.1069 -3.1035 -3.0930 -3.0831 -3.0747 -3.0705 -3.0605 -3.0546 -3.0452 -3.0333 -3.0280 -3.0231 -3.0211 -3.0037 -2.9978 -2.9962 -2.9911 -2.9877 -2.9808 -2.9759 -2.9705 -2.9657 -2.9626 -2.9598 -2.9551 -2.9523 -2.9477 -2.9463 -2.9414 -2.9390 -2.9362 -2.9249 -2.9195 -2.9120 -2.9038 -2.9007 -2.8949 -2.8903 -2.8847 -2.8820 -2.8744 -2.8667 -2.8539 -2.8437 -2.8284 -2.8199 -2.8147 -2.8008 -2.7857 -2.7732 -2.7441 -2.7264 -2.7030 -2.6871 -2.6696 -2.6566 -2.6215 -2.5912 -2.5411 -2.2988 -2.2486 -2.1724 -2.1356 -2.1219 -2.1063 -2.0749 -1.8170 -1.7781 -1.6016 -1.5907 -1.5457 -1.3814 -1.3072 -1.2448 -1.1651 -0.8480 -0.7572 -0.5956 -0.5537 -0.5156 -0.4690 -0.1495 -0.1372 -0.0644 -0.0351 0.0232 0.1858 0.2412 0.3600 0.4833 0.5070 0.6225 0.6469 0.8497 1.0574 1.1118 1.3443 1.4133 1.5414 1.5712 1.6781 1.7248 1.8272 1.9156 2.2233 2.3180 2.3539 2.3698 2.5663 2.8171 2.9282 2.9836 3.0337 3.2687 3.3423 3.3959 3.4167 3.4645 3.4887 3.5623 3.6097 3.6555 3.6886 3.7365 3.7875 3.9096 4.0340 4.1092 4.1699 4.2359 4.3915 4.4284 4.4836 4.5532 4.6168 4.6479 4.6759 4.7369 4.8286 4.8899 4.9066 4.9530 5.0457 5.1590 5.1837 5.2643 5.3487 5.4030 5.4318 5.4946 5.5442 5.5894 5.6323 5.6823 5.7184 5.7912 5.8867 5.9133 5.9703 6.0070 6.0717 6.1328 6.2137 6.2639 6.2999 6.3591 6.3846 6.4396 6.4718 6.5076 6.5322 6.5587 6.6125 6.6889 6.7599 6.8786 6.9348 7.0117 7.0637 7.1179 7.1535 7.2190 7.2720 7.3681 7.4125 7.4548 7.4925 7.5501 7.5770 7.6097 7.6458 7.6617 7.7286 7.7635 7.7947 7.8400 7.8668 7.8783 7.9097 7.9508 7.9704 8.0072 8.0916 8.1156 8.1824 8.2231 8.2682 8.3310 8.3768 8.4062 8.4773 8.5590 8.6280 8.6545 8.6661 8.7422 8.7779 8.8235 8.8645 8.9055 8.9424 8.9632 9.0157 9.0404 9.1180 9.1454 9.1911 9.2342 9.2508 9.2894 9.3837 9.4287 9.4459 9.5143 9.5497 9.5902 9.6125 9.6533 9.6985 9.7484 9.7671 9.7984 9.8568 9.8909 9.9631 9.9926 10.0453 10.0636 10.1220 10.1642 10.1827 10.2327 10.2750 10.3013 10.3496 10.3796 10.4433 10.4785 10.4942 10.5452 10.5807 10.6147 10.6530 -16.5562 -16.5374 -16.4964 -16.4345 -16.3131 -9.2572 -9.2525 -8.8866 -8.0990 -8.0960 -7.8490 -7.7694 -7.2367 -7.2292 -6.9072 -6.7268 -6.7193 -6.5385 -6.5277 -6.4825 -6.4631 -6.4446 -6.3851 -6.3780 -6.1305 -6.0912 -6.0697 -6.0560 -6.0118 -5.9952 -5.9381 -5.9016 -5.8840 -5.8094 -5.7886 -5.7806 -5.7449 -5.6988 -5.6872 -5.6634 -5.6487 -5.6364 -5.6052 -5.5913 -5.5799 -5.5389 -5.5320 -5.5236 -5.4538 -5.4409 -5.3955 -5.3600 -5.3341 -5.3239 -5.3080 -5.2901 -5.2848 -5.2750 -5.2712 -5.2609 -5.2547 -5.2461 -5.2342 -5.2136 -5.2000 -5.1864 -5.1720 -5.1713 -5.1653 -5.1520 -5.1360 -5.1303 -5.1106 -5.0962 -5.0686 -5.0618 -5.0515 -5.0431 -5.0305 -5.0139 -4.9980 -4.9933 -4.9821 -4.9725 -4.9598 -4.9408 -4.9099 -4.9036 -4.8926 -4.8877 -4.8714 -4.8573 -4.8372 -4.8182 -4.8107 -4.7990 -4.7889 -4.7833 -4.7735 -4.7573 -4.7478 -4.7420 -4.7325 -4.7229 -4.7141 -4.7013 -4.6847 -4.6729 -4.6673 -4.6249 -4.5905 -4.5840 -4.5728 -4.5639 -4.5543 -4.5418 -4.5296 -4.5158 -4.4877 -4.4701 -4.4617 -4.4598 -4.4544 -4.4415 -4.4263 -4.4214 -4.4150 -4.3939 -4.3902 -4.3827 -4.3776 -4.3638 -4.3603 -4.3478 -4.3410 -4.3339 -4.3263 -4.3131 -4.3059 -4.2832 -4.2605 -4.2439 -4.2385 -4.2340 -4.2321 -4.2246 -4.2185 -4.2143 -4.2066 -4.2027 -4.1981 -4.1941 -4.1894 -4.1818 -4.1771 -4.1718 -4.1634 -4.1586 -4.1523 -4.1493 -4.1393 -4.1344 -4.1324 -4.1271 -4.1247 -4.1158 -4.1099 -4.1053 -4.1033 -4.0944 -4.0798 -4.0710 -4.0688 -4.0585 -4.0545 -4.0516 -4.0455 -4.0435 -4.0394 -4.0357 -4.0269 -4.0227 -4.0201 -4.0166 -4.0077 -3.9962 -3.9802 -3.9713 -3.9669 -3.9473 -3.9401 -3.9367 -3.9316 -3.9279 -3.9171 -3.9057 -3.9027 -3.9010 -3.8964 -3.8874 -3.8747 -3.8632 -3.8577 -3.8533 -3.8492 -3.8307 -3.8183 -3.7925 -3.7755 -3.7721 -3.7522 -3.7488 -3.7471 -3.7400 -3.7320 -3.7230 -3.7097 -3.6824 -3.6769 -3.6720 -3.6580 -3.6539 -3.6488 -3.6414 -3.6362 -3.6256 -3.6168 -3.6124 -3.6110 -3.6023 -3.5995 -3.5918 -3.5863 -3.5782 -3.5713 -3.5643 -3.5599 -3.5537 -3.5429 -3.5317 -3.5197 -3.5107 -3.5008 -3.4953 -3.4882 -3.4833 -3.4642 -3.4539 -3.4416 -3.4283 -3.4168 -3.4139 -3.4112 -3.4079 -3.3999 -3.3963 -3.3896 -3.3739 -3.3644 -3.3598 -3.3484 -3.3443 -3.3380 -3.3283 -3.3180 -3.3130 -3.3027 -3.2966 -3.2948 -3.2888 -3.2802 -3.2750 -3.2700 -3.2622 -3.2580 -3.2528 -3.2370 -3.2328 -3.2266 -3.2236 -3.2123 -3.2094 -3.1997 -3.1869 -3.1837 -3.1742 -3.1587 -3.1528 -3.1471 -3.1429 -3.1399 -3.1366 -3.1313 -3.1224 -3.1156 -3.1089 -3.1053 -3.1025 -3.0975 -3.0759 -3.0711 -3.0623 -3.0556 -3.0522 -3.0434 -3.0396 -3.0362 -3.0345 -3.0262 -3.0195 -3.0174 -3.0127 -3.0069 -3.0057 -3.0012 -2.9972 -2.9946 -2.9865 -2.9800 -2.9774 -2.9687 -2.9616 -2.9587 -2.9529 -2.9475 -2.9449 -2.9425 -2.9385 -2.9351 -2.9285 -2.9236 -2.9135 -2.9070 -2.8985 -2.8906 -2.8864 -2.8747 -2.8716 -2.8687 -2.8646 -2.8575 -2.8490 -2.8235 -2.8100 -2.7967 -2.7654 -2.7521 -2.7294 -2.7025 -2.6911 -2.6792 -2.6486 -2.6308 -2.6107 -2.5832 -2.5545 -2.5186 -2.4700 -2.3492 -2.2943 -2.2588 -2.1783 -2.1509 -2.1079 -2.0437 -1.7714 -1.6289 -1.5880 -1.3979 -1.3176 -1.0511 -1.0452 -0.8233 -0.7615 -0.7423 -0.5957 -0.5116 -0.4684 -0.4259 -0.1155 -0.0375 0.1003 0.1739 0.2892 0.3420 0.6544 0.7236 0.7649 0.8774 0.9476 1.0956 1.1961 1.3300 1.3956 1.4780 1.5587 1.6487 1.6881 1.7420 1.8667 1.9104 1.9271 1.9922 2.2016 2.3264 2.5590 2.6320 3.0018 3.1045 3.1355 3.2174 3.2524 3.2749 3.2856 3.3789 3.4131 3.5673 3.6064 3.6554 3.7603 3.8045 3.8312 3.9881 4.0889 4.1240 4.1666 4.2305 4.2977 4.3641 4.4160 4.4781 4.5771 4.6212 4.7149 4.7198 4.7852 4.8718 4.9151 4.9633 5.0375 5.1452 5.1672 5.2297 5.2460 5.2848 5.3361 5.3550 5.3941 5.4700 5.5076 5.5482 5.5824 5.6341 5.6812 5.7681 5.8665 5.9012 5.9750 6.0745 6.1812 6.2389 6.2663 6.3723 6.4078 6.4809 6.5198 6.5480 6.6404 6.6747 6.7153 6.7883 6.8147 6.8511 6.8774 6.9318 6.9918 7.0076 7.0570 7.1174 7.2263 7.2988 7.3117 7.3778 7.4294 7.4580 7.5525 7.6011 7.6713 7.6822 7.7156 7.7417 7.7867 7.8367 7.8987 7.9431 7.9961 8.0297 8.1048 8.1693 8.2010 8.2287 8.2520 8.2820 8.3496 8.3988 8.4345 8.4637 8.5059 8.5373 8.5845 8.6126 8.6668 8.7246 8.7566 8.8306 8.8881 8.9694 9.0194 9.0630 9.0912 9.1401 9.2073 9.2611 9.3026 9.3506 9.4117 9.4675 9.5026 9.5313 9.5662 9.6342 9.6734 9.7106 9.7462 9.7850 9.8065 9.8490 9.9202 9.9430 9.9955 10.0091 10.0254 10.0954 10.1641 10.1922 10.2263 10.2563 10.2822 10.3116 10.3515 10.3872 10.4490 10.4946 10.5071 10.5542 10.5878 10.6078 10.6509 10.6943 10.7146 -16.5598 -16.5429 -16.4853 -16.4325 -16.3172 -9.2585 -9.2519 -8.8859 -8.1033 -8.0942 -7.8487 -7.7669 -7.2402 -7.2252 -6.9034 -6.7414 -6.7124 -6.5601 -6.5206 -6.4829 -6.4705 -6.4077 -6.3885 -6.3678 -6.1395 -6.1035 -6.0749 -6.0342 -6.0086 -5.9869 -5.9155 -5.9080 -5.8947 -5.8398 -5.8224 -5.7657 -5.7338 -5.7012 -5.6798 -5.6702 -5.6444 -5.6214 -5.6134 -5.5970 -5.5789 -5.5604 -5.5316 -5.4993 -5.4738 -5.4434 -5.4194 -5.3833 -5.3148 -5.2993 -5.2928 -5.2872 -5.2824 -5.2701 -5.2661 -5.2592 -5.2507 -5.2370 -5.2245 -5.2135 -5.2019 -5.1850 -5.1750 -5.1656 -5.1612 -5.1512 -5.1472 -5.1298 -5.1176 -5.1106 -5.0849 -5.0628 -5.0453 -5.0283 -5.0131 -5.0053 -4.9980 -4.9842 -4.9770 -4.9735 -4.9577 -4.9351 -4.9268 -4.9090 -4.9026 -4.8887 -4.8715 -4.8514 -4.8382 -4.8204 -4.8085 -4.7996 -4.7867 -4.7747 -4.7676 -4.7563 -4.7521 -4.7441 -4.7299 -4.7241 -4.7174 -4.7077 -4.6973 -4.6718 -4.6671 -4.6452 -4.6088 -4.5870 -4.5689 -4.5642 -4.5589 -4.5473 -4.5284 -4.5028 -4.4834 -4.4667 -4.4607 -4.4536 -4.4461 -4.4385 -4.4315 -4.4260 -4.4212 -4.4132 -4.3934 -4.3828 -4.3728 -4.3659 -4.3604 -4.3490 -4.3456 -4.3404 -4.3323 -4.3162 -4.3035 -4.2731 -4.2620 -4.2451 -4.2360 -4.2318 -4.2275 -4.2230 -4.2224 -4.2134 -4.2038 -4.1999 -4.1955 -4.1939 -4.1866 -4.1846 -4.1753 -4.1718 -4.1651 -4.1566 -4.1509 -4.1481 -4.1402 -4.1343 -4.1315 -4.1261 -4.1230 -4.1195 -4.1089 -4.1052 -4.0958 -4.0891 -4.0771 -4.0736 -4.0666 -4.0641 -4.0548 -4.0535 -4.0476 -4.0446 -4.0421 -4.0367 -4.0265 -4.0221 -4.0200 -4.0130 -4.0083 -3.9936 -3.9802 -3.9756 -3.9673 -3.9568 -3.9395 -3.9343 -3.9318 -3.9166 -3.9108 -3.9048 -3.9021 -3.8996 -3.8875 -3.8813 -3.8718 -3.8644 -3.8548 -3.8497 -3.8376 -3.8223 -3.8169 -3.7920 -3.7818 -3.7638 -3.7590 -3.7506 -3.7461 -3.7432 -3.7371 -3.7222 -3.7052 -3.6815 -3.6782 -3.6705 -3.6656 -3.6579 -3.6518 -3.6461 -3.6370 -3.6291 -3.6258 -3.6155 -3.6084 -3.6012 -3.5982 -3.5934 -3.5851 -3.5780 -3.5741 -3.5613 -3.5565 -3.5485 -3.5370 -3.5260 -3.5203 -3.5094 -3.5056 -3.5002 -3.4916 -3.4903 -3.4619 -3.4545 -3.4401 -3.4341 -3.4211 -3.4120 -3.4085 -3.4057 -3.4047 -3.3998 -3.3914 -3.3806 -3.3723 -3.3574 -3.3541 -3.3421 -3.3357 -3.3292 -3.3208 -3.3129 -3.3051 -3.2971 -3.2894 -3.2875 -3.2820 -3.2784 -3.2675 -3.2594 -3.2502 -3.2439 -3.2378 -3.2350 -3.2304 -3.2278 -3.2117 -3.2074 -3.1931 -3.1850 -3.1798 -3.1737 -3.1575 -3.1547 -3.1507 -3.1455 -3.1399 -3.1362 -3.1311 -3.1268 -3.1109 -3.1074 -3.1033 -3.0938 -3.0894 -3.0769 -3.0727 -3.0675 -3.0614 -3.0536 -3.0446 -3.0389 -3.0346 -3.0292 -3.0268 -3.0221 -3.0185 -3.0130 -3.0078 -3.0041 -3.0011 -2.9962 -2.9933 -2.9871 -2.9822 -2.9782 -2.9705 -2.9605 -2.9558 -2.9537 -2.9518 -2.9485 -2.9409 -2.9402 -2.9349 -2.9284 -2.9182 -2.9139 -2.9063 -2.8995 -2.8914 -2.8851 -2.8793 -2.8726 -2.8653 -2.8585 -2.8515 -2.8404 -2.8354 -2.8254 -2.8068 -2.7782 -2.7508 -2.7225 -2.7004 -2.6871 -2.6768 -2.6632 -2.6349 -2.6192 -2.5882 -2.5658 -2.4994 -2.4482 -2.3832 -2.2696 -2.2228 -2.1781 -2.1391 -2.1224 -2.0779 -1.7856 -1.6355 -1.5561 -1.4206 -1.2791 -1.0907 -0.9832 -0.8668 -0.7756 -0.6739 -0.5895 -0.5380 -0.4975 -0.4419 -0.0932 -0.0073 0.1635 0.1941 0.2681 0.3662 0.5648 0.7441 0.7630 0.8955 0.9906 1.0993 1.1250 1.2219 1.4224 1.4835 1.5328 1.6310 1.6950 1.7917 1.8218 1.8781 1.9751 2.0800 2.1658 2.2591 2.4818 2.7874 3.0427 3.0558 3.1344 3.2016 3.2488 3.2830 3.3086 3.3662 3.4554 3.5673 3.6028 3.6201 3.7638 3.8095 3.8263 3.9547 4.1046 4.1138 4.1508 4.2406 4.3261 4.3472 4.4221 4.4928 4.6081 4.6583 4.6957 4.7380 4.7868 4.8699 4.9059 4.9802 5.0352 5.0758 5.1478 5.2044 5.2517 5.3098 5.3411 5.3907 5.4286 5.4803 5.5413 5.5709 5.6148 5.6516 5.7134 5.7413 5.7767 5.9108 6.0013 6.0371 6.1298 6.1906 6.3098 6.3473 6.4017 6.4321 6.4745 6.5505 6.6021 6.6539 6.6827 6.7825 6.8083 6.8533 6.9389 6.9768 7.0180 7.0380 7.0880 7.1393 7.2290 7.2876 7.3272 7.3627 7.4194 7.4789 7.5286 7.5911 7.6466 7.6962 7.7302 7.7618 7.8048 7.8450 7.8840 7.9300 7.9717 8.0474 8.1014 8.1549 8.2019 8.2282 8.2692 8.2942 8.3390 8.3794 8.4332 8.4638 8.4848 8.5465 8.5751 8.6173 8.6581 8.6791 8.7789 8.8511 8.8808 8.9497 9.0008 9.0238 9.1029 9.1829 9.2068 9.2682 9.3032 9.3349 9.4237 9.4403 9.4715 9.5321 9.5704 9.6214 9.6557 9.6993 9.7290 9.8007 9.8231 9.8828 9.9152 9.9414 9.9822 10.0335 10.0904 10.1207 10.1689 10.1893 10.2062 10.2423 10.2851 10.3465 10.3858 10.3996 10.4390 10.4859 10.5371 10.5610 10.5981 10.6355 10.6778 10.6897 10.7158 -16.5649 -16.5404 -16.4795 -16.4349 -16.3180 -9.5567 -8.8156 -8.8132 -8.3737 -7.7893 -7.7872 -7.7115 -7.6997 -6.9598 -6.9506 -6.9398 -6.8606 -6.8572 -6.6390 -6.4607 -6.4268 -6.3250 -6.2951 -6.1490 -6.1204 -6.0934 -6.0643 -6.0443 -6.0298 -5.9561 -5.8886 -5.8485 -5.8304 -5.8069 -5.7929 -5.7694 -5.7409 -5.7098 -5.6816 -5.6623 -5.6368 -5.6173 -5.5987 -5.5746 -5.5295 -5.5114 -5.4757 -5.4678 -5.4551 -5.4421 -5.4126 -5.3569 -5.3530 -5.3506 -5.3412 -5.3162 -5.3076 -5.2880 -5.2678 -5.2565 -5.2414 -5.2288 -5.2204 -5.2100 -5.2038 -5.1903 -5.1818 -5.1739 -5.1597 -5.1516 -5.1491 -5.1368 -5.1279 -5.1219 -5.1050 -5.0892 -5.0849 -5.0777 -5.0264 -5.0024 -4.9921 -4.9838 -4.9528 -4.9452 -4.9249 -4.9207 -4.9124 -4.9035 -4.8897 -4.8749 -4.8646 -4.8562 -4.8333 -4.8236 -4.8121 -4.8077 -4.7792 -4.7686 -4.7548 -4.7474 -4.7350 -4.7253 -4.7079 -4.7028 -4.6950 -4.6808 -4.6668 -4.6478 -4.6411 -4.6313 -4.6254 -4.6123 -4.5930 -4.5873 -4.5656 -4.5630 -4.5442 -4.5334 -4.5158 -4.5085 -4.5064 -4.4894 -4.4503 -4.4449 -4.4351 -4.4287 -4.4150 -4.3988 -4.3837 -4.3747 -4.3709 -4.3595 -4.3548 -4.3489 -4.3382 -4.3324 -4.3206 -4.3170 -4.3086 -4.3026 -4.2964 -4.2877 -4.2721 -4.2671 -4.2650 -4.2473 -4.2392 -4.2302 -4.2135 -4.2095 -4.2055 -4.1931 -4.1885 -4.1842 -4.1781 -4.1710 -4.1660 -4.1546 -4.1475 -4.1374 -4.1282 -4.1221 -4.1127 -4.1090 -4.1051 -4.1039 -4.1013 -4.0984 -4.0948 -4.0888 -4.0792 -4.0681 -4.0649 -4.0535 -4.0532 -4.0467 -4.0402 -4.0266 -4.0182 -4.0080 -4.0055 -3.9997 -3.9952 -3.9908 -3.9811 -3.9727 -3.9636 -3.9576 -3.9518 -3.9436 -3.9400 -3.9310 -3.9281 -3.9175 -3.9114 -3.9026 -3.8991 -3.8959 -3.8892 -3.8855 -3.8816 -3.8741 -3.8670 -3.8543 -3.8436 -3.8328 -3.8157 -3.8012 -3.7898 -3.7796 -3.7659 -3.7583 -3.7527 -3.7424 -3.7372 -3.7210 -3.7104 -3.7033 -3.6968 -3.6856 -3.6776 -3.6729 -3.6622 -3.6603 -3.6541 -3.6476 -3.6424 -3.6367 -3.6292 -3.6240 -3.6205 -3.6141 -3.6077 -3.6013 -3.5992 -3.5928 -3.5882 -3.5686 -3.5597 -3.5532 -3.5440 -3.5249 -3.5200 -3.5148 -3.5069 -3.4907 -3.4842 -3.4812 -3.4722 -3.4502 -3.4330 -3.4264 -3.4108 -3.3987 -3.3922 -3.3840 -3.3782 -3.3694 -3.3627 -3.3566 -3.3494 -3.3423 -3.3383 -3.3319 -3.3293 -3.3229 -3.3150 -3.3094 -3.3057 -3.3007 -3.2952 -3.2910 -3.2809 -3.2736 -3.2679 -3.2635 -3.2537 -3.2497 -3.2358 -3.2264 -3.2188 -3.2072 -3.2023 -3.2004 -3.1957 -3.1936 -3.1810 -3.1761 -3.1718 -3.1658 -3.1577 -3.1560 -3.1386 -3.1245 -3.1125 -3.1098 -3.1090 -3.1035 -3.1014 -3.0944 -3.0876 -3.0735 -3.0698 -3.0583 -3.0548 -3.0418 -3.0360 -3.0333 -3.0295 -3.0184 -3.0046 -2.9999 -2.9963 -2.9906 -2.9877 -2.9829 -2.9771 -2.9708 -2.9659 -2.9645 -2.9576 -2.9560 -2.9515 -2.9485 -2.9467 -2.9412 -2.9381 -2.9303 -2.9262 -2.9158 -2.9138 -2.9049 -2.9020 -2.8967 -2.8884 -2.8821 -2.8793 -2.8745 -2.8651 -2.8520 -2.8418 -2.8333 -2.8197 -2.8058 -2.8003 -2.7839 -2.7619 -2.7496 -2.7173 -2.7129 -2.6878 -2.6606 -2.6503 -2.6211 -2.5807 -2.5435 -2.3425 -2.2601 -2.1876 -2.1323 -2.1124 -2.0880 -2.0563 -1.8031 -1.7288 -1.6431 -1.5814 -1.5064 -1.4502 -1.3344 -1.2240 -1.1456 -0.8521 -0.7660 -0.6110 -0.5662 -0.5242 -0.4837 -0.1814 -0.1157 -0.0733 0.0024 0.0855 0.2039 0.2429 0.2990 0.4594 0.4753 0.5492 0.7475 0.8393 1.0654 1.1852 1.2737 1.4327 1.4638 1.5664 1.6874 1.7637 1.8348 1.9977 2.2453 2.3062 2.3696 2.3956 2.5497 2.7263 2.9127 2.9894 3.0233 3.2518 3.3513 3.3641 3.4238 3.4457 3.5301 3.5842 3.6324 3.6659 3.7007 3.7410 3.8231 3.9268 3.9850 4.1094 4.1725 4.2369 4.3993 4.4504 4.4947 4.5398 4.5842 4.6314 4.6977 4.7348 4.8551 4.8603 4.9405 4.9923 5.0568 5.1320 5.1675 5.2430 5.3145 5.3630 5.4200 5.4677 5.5180 5.5922 5.6670 5.6999 5.7528 5.7830 5.8289 5.9038 5.9391 6.0008 6.1096 6.1400 6.2029 6.2266 6.3037 6.3636 6.4332 6.4485 6.4763 6.5019 6.5401 6.5862 6.6616 6.7364 6.7915 6.8649 6.9417 7.0184 7.0687 7.1007 7.1571 7.2262 7.2610 7.3303 7.3981 7.4339 7.4852 7.5327 7.5495 7.5852 7.6320 7.6689 7.7080 7.7550 7.7837 7.8254 7.8721 7.9008 7.9316 7.9646 7.9905 8.0202 8.0774 8.1315 8.1501 8.2111 8.2647 8.2916 8.3365 8.3737 8.4573 8.4839 8.5779 8.6365 8.6688 8.7225 8.7614 8.8478 8.9030 8.9092 8.9761 9.0326 9.0409 9.1138 9.1552 9.2084 9.2253 9.2627 9.3020 9.3606 9.3798 9.4446 9.4834 9.5040 9.5520 9.5837 9.6414 9.6701 9.7034 9.7494 9.7752 9.8229 9.8448 9.8965 9.9299 9.9784 10.0114 10.0348 10.0853 10.1075 10.1820 10.2283 10.2692 10.3035 10.3546 10.3886 10.4399 10.4565 10.5117 10.5349 10.5636 10.6118 10.6516 -16.5725 -16.5200 -16.4789 -16.4551 -16.3112 -9.4808 -9.1067 -8.3933 -8.3834 -8.3041 -7.9648 -7.3458 -7.3326 -7.1424 -7.1303 -6.8849 -6.6983 -6.6348 -6.6190 -6.5940 -6.4357 -6.3798 -6.2858 -6.2379 -6.1852 -6.0981 -6.0908 -6.0715 -5.9812 -5.9209 -5.8971 -5.8718 -5.8370 -5.8118 -5.7948 -5.7612 -5.7356 -5.7121 -5.6941 -5.6829 -5.6483 -5.6131 -5.6093 -5.5930 -5.5399 -5.5298 -5.4927 -5.4601 -5.4207 -5.4124 -5.4000 -5.3475 -5.3395 -5.3239 -5.3207 -5.3053 -5.3026 -5.2929 -5.2881 -5.2706 -5.2628 -5.2564 -5.2433 -5.2359 -5.2212 -5.2083 -5.2061 -5.1938 -5.1810 -5.1475 -5.1390 -5.1118 -5.0968 -5.0892 -5.0741 -5.0640 -5.0585 -5.0507 -5.0388 -5.0290 -5.0230 -5.0004 -4.9770 -4.9498 -4.9418 -4.9237 -4.9212 -4.8852 -4.8706 -4.8591 -4.8455 -4.8391 -4.8124 -4.8031 -4.7953 -4.7916 -4.7853 -4.7761 -4.7664 -4.7597 -4.7484 -4.7293 -4.7228 -4.7117 -4.7027 -4.6887 -4.6809 -4.6681 -4.6579 -4.6321 -4.6057 -4.5966 -4.5922 -4.5815 -4.5704 -4.5649 -4.5557 -4.5406 -4.5295 -4.5145 -4.5079 -4.4916 -4.4826 -4.4483 -4.4430 -4.4133 -4.4083 -4.4002 -4.3852 -4.3757 -4.3737 -4.3618 -4.3544 -4.3423 -4.3367 -4.3284 -4.3138 -4.3046 -4.2945 -4.2905 -4.2831 -4.2733 -4.2635 -4.2521 -4.2430 -4.2351 -4.2241 -4.2159 -4.2085 -4.1981 -4.1923 -4.1808 -4.1739 -4.1718 -4.1631 -4.1598 -4.1464 -4.1376 -4.1340 -4.1271 -4.1215 -4.1169 -4.1141 -4.1072 -4.1035 -4.0975 -4.0897 -4.0852 -4.0802 -4.0755 -4.0701 -4.0678 -4.0583 -4.0558 -4.0507 -4.0453 -4.0406 -4.0381 -4.0336 -4.0231 -4.0204 -4.0167 -4.0132 -4.0076 -4.0015 -3.9893 -3.9852 -3.9808 -3.9752 -3.9711 -3.9588 -3.9470 -3.9358 -3.9272 -3.9232 -3.9177 -3.9103 -3.9033 -3.8965 -3.8862 -3.8771 -3.8683 -3.8588 -3.8426 -3.8336 -3.8183 -3.8139 -3.8028 -3.7957 -3.7925 -3.7856 -3.7703 -3.7617 -3.7493 -3.7383 -3.7276 -3.7228 -3.7176 -3.6954 -3.6846 -3.6793 -3.6692 -3.6604 -3.6525 -3.6450 -3.6434 -3.6383 -3.6348 -3.6326 -3.6287 -3.6191 -3.6083 -3.6041 -3.5933 -3.5832 -3.5766 -3.5699 -3.5554 -3.5479 -3.5326 -3.5186 -3.5116 -3.5079 -3.5030 -3.4944 -3.4866 -3.4783 -3.4631 -3.4500 -3.4403 -3.4230 -3.4212 -3.4094 -3.4015 -3.3951 -3.3870 -3.3798 -3.3772 -3.3680 -3.3611 -3.3481 -3.3457 -3.3420 -3.3392 -3.3335 -3.3257 -3.3203 -3.3111 -3.3016 -3.2977 -3.2917 -3.2780 -3.2708 -3.2614 -3.2536 -3.2496 -3.2392 -3.2313 -3.2283 -3.2165 -3.2077 -3.2007 -3.1952 -3.1929 -3.1882 -3.1801 -3.1744 -3.1608 -3.1554 -3.1528 -3.1422 -3.1403 -3.1358 -3.1231 -3.1078 -3.1049 -3.0945 -3.0888 -3.0861 -3.0778 -3.0725 -3.0677 -3.0613 -3.0485 -3.0434 -3.0351 -3.0288 -3.0228 -3.0197 -3.0145 -3.0090 -3.0079 -3.0019 -3.0002 -2.9952 -2.9919 -2.9843 -2.9764 -2.9699 -2.9658 -2.9637 -2.9602 -2.9494 -2.9450 -2.9401 -2.9376 -2.9341 -2.9316 -2.9269 -2.9216 -2.9172 -2.9117 -2.9061 -2.8967 -2.8949 -2.8879 -2.8838 -2.8781 -2.8635 -2.8579 -2.8478 -2.8329 -2.8210 -2.8157 -2.8058 -2.7937 -2.7520 -2.7383 -2.7314 -2.7217 -2.6873 -2.6745 -2.6697 -2.6219 -2.6004 -2.5665 -2.5179 -2.4944 -2.3786 -2.2310 -2.2226 -2.0939 -2.0048 -1.9006 -1.4875 -1.4647 -1.4391 -1.4123 -1.3575 -1.3148 -1.2367 -1.0577 -0.9318 -0.9053 -0.7944 -0.6935 -0.6695 -0.6438 -0.5889 -0.3928 -0.0971 -0.0508 0.2914 0.4856 0.5278 0.5434 0.6475 0.6514 0.7929 0.8803 1.0958 1.2329 1.3048 1.3433 1.4163 1.4629 1.4948 1.5995 1.6765 1.8485 1.9691 2.0605 2.1708 2.2585 2.3862 2.4463 2.6969 2.7341 3.0505 3.1459 3.1766 3.2642 3.3387 3.3731 3.4658 3.5466 3.5716 3.6252 3.7025 3.7447 3.7892 3.8604 3.9166 3.9916 4.0550 4.1163 4.1778 4.3190 4.3573 4.4371 4.5054 4.5588 4.6478 4.7337 4.7743 4.8297 4.8746 4.9453 4.9824 5.0219 5.1140 5.1741 5.2144 5.2692 5.3688 5.4316 5.4584 5.5602 5.5838 5.6104 5.6710 5.6983 5.7833 5.8271 5.8960 5.9618 6.0154 6.0744 6.1227 6.1916 6.2347 6.2863 6.3777 6.4160 6.4351 6.5068 6.5814 6.6200 6.6493 6.6997 6.7556 6.7964 6.8340 6.9222 6.9625 7.0225 7.0630 7.0869 7.1534 7.2364 7.2779 7.2920 7.3816 7.4369 7.4605 7.5006 7.5572 7.6038 7.6729 7.6754 7.7393 7.8153 7.8321 7.8843 7.9323 8.0157 8.0501 8.0866 8.1204 8.2101 8.2224 8.2630 8.2861 8.3361 8.3694 8.4011 8.4273 8.4755 8.5386 8.5704 8.6334 8.6707 8.7031 8.7538 8.8054 8.8369 8.8581 8.9298 8.9805 9.0277 9.0437 9.1426 9.1836 9.2258 9.2615 9.2969 9.3432 9.3686 9.4008 9.4400 9.4955 9.5328 9.6029 9.6249 9.7200 9.7414 9.7993 9.8400 9.8815 9.9340 9.9624 9.9988 10.0319 10.0649 10.0921 10.1302 10.1723 10.2103 10.2412 10.2940 10.3256 10.3746 10.4230 10.4702 10.5126 10.5537 10.5760 10.5942 10.6460 10.6956 -16.5670 -16.5232 -16.4924 -16.4434 -16.3117 -9.2566 -9.2536 -8.8861 -8.1014 -8.0952 -7.8488 -7.7675 -7.2341 -7.2319 -6.9038 -6.7358 -6.7181 -6.5399 -6.5310 -6.4955 -6.4478 -6.4369 -6.3852 -6.3660 -6.1332 -6.1014 -6.0703 -6.0507 -6.0175 -5.9859 -5.9170 -5.9086 -5.8813 -5.8471 -5.8195 -5.7536 -5.7345 -5.6953 -5.6805 -5.6644 -5.6447 -5.6337 -5.6090 -5.5888 -5.5736 -5.5606 -5.5395 -5.5264 -5.4573 -5.4412 -5.4115 -5.3599 -5.3360 -5.3088 -5.2938 -5.2884 -5.2801 -5.2750 -5.2716 -5.2578 -5.2547 -5.2483 -5.2275 -5.2206 -5.1970 -5.1938 -5.1742 -5.1669 -5.1545 -5.1461 -5.1378 -5.1337 -5.1138 -5.1023 -5.0839 -5.0738 -5.0445 -5.0364 -5.0132 -5.0066 -4.9903 -4.9848 -4.9767 -4.9719 -4.9518 -4.9459 -4.9312 -4.9100 -4.8910 -4.8788 -4.8683 -4.8521 -4.8312 -4.8262 -4.8147 -4.7999 -4.7840 -4.7814 -4.7740 -4.7643 -4.7540 -4.7451 -4.7270 -4.7231 -4.7119 -4.7007 -4.6974 -4.6735 -4.6611 -4.6545 -4.5930 -4.5835 -4.5716 -4.5634 -4.5528 -4.5348 -4.5290 -4.5082 -4.4852 -4.4712 -4.4628 -4.4609 -4.4505 -4.4415 -4.4313 -4.4235 -4.4182 -4.4093 -4.3950 -4.3857 -4.3691 -4.3664 -4.3542 -4.3474 -4.3430 -4.3365 -4.3317 -4.3190 -4.3026 -4.2704 -4.2588 -4.2505 -4.2399 -4.2316 -4.2285 -4.2241 -4.2180 -4.2142 -4.2075 -4.2047 -4.1951 -4.1914 -4.1865 -4.1813 -4.1742 -4.1711 -4.1673 -4.1549 -4.1497 -4.1470 -4.1419 -4.1342 -4.1272 -4.1250 -4.1212 -4.1140 -4.1109 -4.1052 -4.0976 -4.0945 -4.0809 -4.0759 -4.0661 -4.0605 -4.0536 -4.0494 -4.0469 -4.0432 -4.0396 -4.0371 -4.0297 -4.0226 -4.0221 -4.0131 -4.0113 -3.9998 -3.9841 -3.9756 -3.9654 -3.9459 -3.9402 -3.9360 -3.9321 -3.9278 -3.9162 -3.9066 -3.9022 -3.8985 -3.8931 -3.8776 -3.8733 -3.8643 -3.8537 -3.8494 -3.8320 -3.8204 -3.8099 -3.7906 -3.7848 -3.7592 -3.7517 -3.7475 -3.7457 -3.7414 -3.7341 -3.7207 -3.7086 -3.6884 -3.6770 -3.6723 -3.6663 -3.6594 -3.6496 -3.6421 -3.6379 -3.6331 -3.6244 -3.6162 -3.6051 -3.6022 -3.5965 -3.5922 -3.5899 -3.5790 -3.5741 -3.5628 -3.5597 -3.5497 -3.5393 -3.5317 -3.5228 -3.5146 -3.5074 -3.5045 -3.4922 -3.4816 -3.4686 -3.4538 -3.4367 -3.4297 -3.4166 -3.4156 -3.4118 -3.4048 -3.4026 -3.3957 -3.3913 -3.3828 -3.3743 -3.3581 -3.3488 -3.3430 -3.3344 -3.3313 -3.3203 -3.3136 -3.3040 -3.2993 -3.2911 -3.2867 -3.2793 -3.2748 -3.2672 -3.2603 -3.2538 -3.2449 -3.2366 -3.2333 -3.2276 -3.2202 -3.2101 -3.2062 -3.1959 -3.1909 -3.1818 -3.1725 -3.1538 -3.1503 -3.1480 -3.1443 -3.1394 -3.1382 -3.1335 -3.1241 -3.1140 -3.1096 -3.1056 -3.0989 -3.0874 -3.0824 -3.0731 -3.0638 -3.0544 -3.0528 -3.0477 -3.0381 -3.0365 -3.0293 -3.0264 -3.0201 -3.0163 -3.0129 -3.0086 -3.0027 -2.9998 -2.9962 -2.9934 -2.9851 -2.9813 -2.9804 -2.9686 -2.9634 -2.9586 -2.9531 -2.9497 -2.9466 -2.9425 -2.9386 -2.9334 -2.9273 -2.9216 -2.9152 -2.9073 -2.9005 -2.8993 -2.8836 -2.8779 -2.8694 -2.8641 -2.8615 -2.8488 -2.8433 -2.8274 -2.8191 -2.8094 -2.7651 -2.7462 -2.7281 -2.7194 -2.7041 -2.6834 -2.6536 -2.6417 -2.6082 -2.5925 -2.5671 -2.4881 -2.4549 -2.3767 -2.2837 -2.2327 -2.1875 -2.1388 -2.1072 -2.0651 -1.7945 -1.6248 -1.5897 -1.3351 -1.3280 -1.0715 -1.0214 -0.8144 -0.8016 -0.7153 -0.5966 -0.5553 -0.4799 -0.4161 -0.0626 -0.0245 0.1344 0.1990 0.2721 0.3423 0.5989 0.7195 0.8141 0.8747 0.9647 1.0576 1.1641 1.3061 1.4163 1.4763 1.5505 1.6041 1.6816 1.7575 1.8526 1.8898 1.9612 2.0617 2.1282 2.3183 2.5758 2.6930 3.0208 3.0911 3.1275 3.2138 3.2584 3.2811 3.3061 3.3349 3.4234 3.5278 3.5704 3.6879 3.7541 3.8019 3.8201 4.0419 4.0684 4.1094 4.1490 4.2246 4.3037 4.3406 4.3983 4.4507 4.5999 4.6785 4.6885 4.7260 4.8173 4.8506 4.9071 5.0063 5.0240 5.0957 5.1700 5.2034 5.2699 5.3118 5.3399 5.3728 5.4275 5.5118 5.5263 5.5589 5.6038 5.6247 5.7040 5.7810 5.8270 5.8887 5.9880 6.1256 6.1599 6.2079 6.2801 6.3174 6.4007 6.4186 6.4954 6.5400 6.6029 6.6780 6.6981 6.7905 6.8182 6.8433 6.9045 6.9598 7.0061 7.0447 7.0837 7.1586 7.2213 7.2828 7.3292 7.3897 7.4271 7.4504 7.4978 7.6034 7.6372 7.6836 7.7238 7.7403 7.7834 7.8298 7.8992 7.9350 7.9830 8.0241 8.1269 8.1472 8.1875 8.2404 8.2688 8.2986 8.3462 8.3867 8.4358 8.4732 8.5122 8.5419 8.5852 8.6316 8.7303 8.7413 8.7727 8.8388 8.8965 8.9555 9.0058 9.0476 9.1259 9.1643 9.1859 9.2741 9.3177 9.3408 9.3926 9.4231 9.4646 9.5044 9.5616 9.5933 9.6190 9.6642 9.7101 9.7531 9.8156 9.8397 9.9115 9.9508 9.9973 10.0335 10.0609 10.1050 10.1404 10.1825 10.2112 10.2555 10.3053 10.3387 10.3624 10.4072 10.4301 10.4565 10.5132 10.5487 10.5926 10.6380 10.6718 10.7172 10.7351</array>
                     <array dataType="xsd:double" dictRef="cc:occup" size="7280">1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00003 1.00046 1.00115 1.00187 1.00516 0.97659 0.96962 0.96126 0.94186 0.93170 0.87463 0.48247 0.30512 0.22092 -0.00533 -0.00075 -0.00024 -0.00015 -0.00004 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00005 1.00021 1.00279 1.00606 1.02078 1.02698 1.03441 0.97566 0.90188 0.87784 0.55130 0.28675 -0.03546 -0.00111 -0.00021 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00002 1.00009 1.00478 1.00601 1.01336 1.02987 1.02872 0.98469 0.92125 0.86380 0.45455 0.32384 -0.01802 -0.00038 -0.00011 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00001 1.00014 1.03461 0.99475 0.96118 0.90179 0.84956 0.41606 0.13564 -0.03360 -0.02907 -0.00686 -0.00069 -0.00017 -0.00007 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00001 1.00004 1.02865 0.97451 0.92754 0.82116 0.77524 0.61102 0.26383 -0.03514 -0.01468 -0.00382 -0.00074 -0.00014 -0.00006 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00001 1.00025 1.00397 1.00776 1.01769 1.03075 1.03424 1.01608 0.92731 0.83427 0.43558 0.38667 -0.03004 -0.00026 -0.00017 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00031 1.00682 1.02508 1.03227 1.00768 0.87848 0.82751 0.17801 0.06312 -0.00543 -0.00020 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00082 1.00195 1.02776 1.03010 1.03545 0.80796 0.52133 0.26801 0.04542 -0.00303 -0.00040 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00224 1.02151 1.03066 0.85837 0.56508 -0.03532 -0.03495 -0.00183 -0.00045 -0.00027 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00166 1.02002 1.03517 0.91665 0.40342 -0.03010 -0.02332 -0.00434 -0.00063 -0.00004 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00113 1.00508 1.01833 1.03191 1.02720 0.97320 0.63447 0.19570 0.01459 -0.00328 -0.00050 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00010 1.01575 0.99329 0.95454 0.89666 0.72475 0.55356 0.23904 -0.03546 -0.01252 -0.00841 -0.00097 -0.00007 -0.00004 -0.00002 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00137 1.02244 1.03031 0.63767 0.60835 -0.03458 -0.03164 -0.00152 -0.00115 -0.00013 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000</array>
                  </list>
                  <list id="spin">
                     <scalar dataType="xsd:integer" dictRef="cc:spin">2</scalar>
                     <array dataType="xsd:integer" dictRef="cc:serial" size="13">1 2 3 4 5 6 7 8 9 10 11 12 13</array>
                     <array dataType="xsd:double" dictRef="cc:eigen" size="7280">-16.5872 -16.5138 -16.4681 -16.4473 -16.3213 -9.7867 -8.5868 -8.0027 -7.9959 -7.9911 -7.9853 -7.9845 -7.9809 -7.1200 -7.0536 -7.0476 -7.0434 -7.0295 -6.9862 -6.9764 -6.2460 -6.1515 -6.1493 -6.1288 -6.0487 -5.9622 -5.9334 -5.9257 -5.8679 -5.8648 -5.8045 -5.7959 -5.7893 -5.7354 -5.6935 -5.6712 -5.6482 -5.6370 -5.6312 -5.6153 -5.6022 -5.5711 -5.5709 -5.5474 -5.4854 -5.4729 -5.4464 -5.4447 -5.4136 -5.4108 -5.4098 -5.3956 -5.3821 -5.3708 -5.3530 -5.3383 -5.3295 -5.3228 -5.3135 -5.3101 -5.2983 -5.2883 -5.2744 -5.2612 -5.2537 -5.2515 -5.2451 -5.2267 -5.2223 -5.1908 -5.1769 -5.1363 -5.1159 -5.0543 -5.0509 -5.0447 -5.0356 -5.0092 -4.9682 -4.9535 -4.9520 -4.9382 -4.9346 -4.9282 -4.9259 -4.9230 -4.9193 -4.9127 -4.9090 -4.8915 -4.8715 -4.8614 -4.8468 -4.8440 -4.8389 -4.8299 -4.8263 -4.8089 -4.7563 -4.7317 -4.7015 -4.6933 -4.6871 -4.6722 -4.6596 -4.6461 -4.6410 -4.6268 -4.6151 -4.6001 -4.5972 -4.5941 -4.5789 -4.5720 -4.5673 -4.5614 -4.5589 -4.5549 -4.5505 -4.5489 -4.5477 -4.5428 -4.5396 -4.5335 -4.5227 -4.5144 -4.4177 -4.4135 -4.4019 -4.3883 -4.3843 -4.3705 -4.3673 -4.3612 -4.3524 -4.3458 -4.3271 -4.3168 -4.3096 -4.3062 -4.2906 -4.2795 -4.2752 -4.2729 -4.2617 -4.2592 -4.2500 -4.2454 -4.2360 -4.2247 -4.2056 -4.2029 -4.1999 -4.1917 -4.1639 -4.1612 -4.1587 -4.1565 -4.1511 -4.1494 -4.1406 -4.1344 -4.1257 -4.1237 -4.1171 -4.0781 -4.0759 -4.0574 -4.0524 -4.0441 -4.0374 -4.0299 -4.0246 -4.0168 -4.0086 -4.0028 -3.9928 -3.9891 -3.9870 -3.9792 -3.9774 -3.9756 -3.9714 -3.9710 -3.9699 -3.9694 -3.9674 -3.9667 -3.9651 -3.9646 -3.9631 -3.9561 -3.9417 -3.9316 -3.9228 -3.9195 -3.9173 -3.9156 -3.9136 -3.9097 -3.9020 -3.9010 -3.8922 -3.8830 -3.8501 -3.8419 -3.8396 -3.8367 -3.8356 -3.8343 -3.8168 -3.8062 -3.7812 -3.7602 -3.7549 -3.7205 -3.7164 -3.7130 -3.7106 -3.7057 -3.7035 -3.7004 -3.6916 -3.6872 -3.6746 -3.6706 -3.6608 -3.6504 -3.6417 -3.6380 -3.6240 -3.6190 -3.6120 -3.6114 -3.6081 -3.6060 -3.6031 -3.5958 -3.5953 -3.5858 -3.5654 -3.5427 -3.5236 -3.5126 -3.5089 -3.5046 -3.4818 -3.4786 -3.4701 -3.4622 -3.4620 -3.4543 -3.4516 -3.4477 -3.4441 -3.4397 -3.4270 -3.4190 -3.4064 -3.4031 -3.4003 -3.3848 -3.3819 -3.3715 -3.3676 -3.3648 -3.3639 -3.3601 -3.3584 -3.3505 -3.3483 -3.3429 -3.3394 -3.3359 -3.3318 -3.3290 -3.3243 -3.3070 -3.2605 -3.2562 -3.2515 -3.2506 -3.2467 -3.2446 -3.2432 -3.2383 -3.2355 -3.2352 -3.2274 -3.2192 -3.2043 -3.1896 -3.1730 -3.1632 -3.1441 -3.1169 -3.1102 -3.1067 -3.1033 -3.0987 -3.0952 -3.0887 -3.0824 -3.0819 -3.0594 -3.0382 -2.9987 -2.9974 -2.9945 -2.9808 -2.9662 -2.9628 -2.9576 -2.9542 -2.9490 -2.9438 -2.9358 -2.9349 -2.9319 -2.9294 -2.9285 -2.9275 -2.9235 -2.9187 -2.9145 -2.9135 -2.9097 -2.9018 -2.9000 -2.8842 -2.8746 -2.8684 -2.8656 -2.8621 -2.8572 -2.8502 -2.8486 -2.8431 -2.8351 -2.8238 -2.8101 -2.8007 -2.7892 -2.7840 -2.7726 -2.7405 -2.7262 -2.6864 -2.6841 -2.6829 -2.6814 -2.6808 -2.6539 -2.6469 -2.6214 -2.1461 -2.0947 -1.9462 -1.8412 -1.8026 -1.7801 -1.7279 -1.4524 -1.4479 -1.4429 -1.4325 -1.4275 -1.4038 -1.2980 -1.2546 -1.2315 -0.8782 -0.7834 -0.7376 -0.7193 -0.6707 -0.6105 -0.4907 -0.4270 -0.3965 -0.1841 -0.1520 -0.0421 0.0654 0.1168 0.2599 0.2863 0.3112 0.3296 0.3372 0.4604 0.5625 0.5721 0.7481 0.8648 0.9304 1.0209 1.0525 1.1713 1.8937 2.1066 2.5016 2.5592 2.6170 2.6583 2.7720 2.8515 2.8849 2.9057 2.9620 2.9960 3.0946 3.1625 3.2601 3.3303 3.3839 3.7163 3.7674 3.8743 4.1598 4.1763 4.4779 4.5469 4.5578 4.5811 4.5984 4.6185 4.6544 4.6680 4.7052 4.7780 4.8417 4.8877 5.0096 5.0341 5.1159 5.1546 5.1601 5.1949 5.2223 5.2692 5.3424 5.4234 5.4445 5.4634 5.4762 5.4803 5.5173 5.5804 5.6549 5.7376 5.7756 5.8371 5.9201 5.9761 6.0519 6.0696 6.1309 6.2023 6.2180 6.2358 6.2782 6.3504 6.3622 6.4027 6.4302 6.4657 6.4924 6.5293 6.5775 6.6110 6.6343 6.6971 6.7155 6.7589 6.7983 6.8558 6.9250 6.9548 7.0496 7.0889 7.1501 7.2014 7.2902 7.3454 7.4133 7.4889 7.5232 7.6543 7.7069 7.7302 7.7775 7.8358 7.8585 7.8997 7.9789 8.0324 8.0975 8.1526 8.2020 8.2611 8.3354 8.3786 8.3888 8.4144 8.4470 8.4559 8.5017 8.5383 8.5566 8.5936 8.6321 8.6546 8.6689 8.7491 8.7852 8.8332 8.8526 8.9532 8.9719 9.0090 9.0567 9.0790 9.1320 9.1932 9.2350 9.2435 9.3216 9.3396 9.3581 9.4079 9.4479 9.4809 9.5303 9.5785 9.5961 9.6316 9.6865 9.7368 9.7725 9.7947 9.8164 9.8277 9.8847 9.9425 9.9670 10.0120 10.1179 10.1204 10.2034 10.2363 10.2633 10.2898 10.3407 10.3438 10.3880 10.4145 10.4473 10.5145 10.5406 -16.5788 -16.5238 -16.4702 -16.4469 -16.3180 -9.7097 -8.6007 -8.5151 -8.2570 -8.2514 -7.6139 -7.6063 -7.5209 -7.3250 -7.2485 -7.2157 -7.0545 -6.7663 -6.7116 -6.5551 -6.3143 -6.2260 -6.1974 -6.1446 -6.1139 -6.0628 -5.9919 -5.9521 -5.9214 -5.9129 -5.8591 -5.8328 -5.8000 -5.7858 -5.7712 -5.7411 -5.7057 -5.6912 -5.6729 -5.6338 -5.6181 -5.5586 -5.5262 -5.5163 -5.5012 -5.4736 -5.4642 -5.4281 -5.4107 -5.3995 -5.3925 -5.3838 -5.3737 -5.3648 -5.3558 -5.3446 -5.3375 -5.3255 -5.3052 -5.2977 -5.2873 -5.2737 -5.2691 -5.2561 -5.2352 -5.2248 -5.2108 -5.1832 -5.1753 -5.1549 -5.1460 -5.1391 -5.1214 -5.1068 -5.0791 -5.0573 -5.0441 -5.0264 -5.0219 -4.9968 -4.9923 -4.9799 -4.9754 -4.9565 -4.9353 -4.9291 -4.9113 -4.8910 -4.8814 -4.8701 -4.8577 -4.8440 -4.8254 -4.8194 -4.7960 -4.7790 -4.7724 -4.7557 -4.7404 -4.7333 -4.7211 -4.7150 -4.7059 -4.6992 -4.6951 -4.6873 -4.6568 -4.6434 -4.6322 -4.6133 -4.6093 -4.6012 -4.5914 -4.5810 -4.5714 -4.5675 -4.5632 -4.5547 -4.5464 -4.5333 -4.5218 -4.5143 -4.5119 -4.5035 -4.4756 -4.4685 -4.4108 -4.4048 -4.3997 -4.3927 -4.3888 -4.3824 -4.3674 -4.3509 -4.3420 -4.3220 -4.3157 -4.3116 -4.3055 -4.2974 -4.2907 -4.2863 -4.2802 -4.2725 -4.2705 -4.2618 -4.2492 -4.2412 -4.2272 -4.2249 -4.2235 -4.2020 -4.1966 -4.1788 -4.1753 -4.1648 -4.1517 -4.1419 -4.1374 -4.1311 -4.1290 -4.1223 -4.1158 -4.1132 -4.1068 -4.1044 -4.0978 -4.0951 -4.0789 -4.0533 -4.0454 -4.0347 -4.0309 -4.0267 -4.0237 -4.0177 -4.0149 -4.0090 -4.0058 -4.0015 -3.9948 -3.9933 -3.9817 -3.9802 -3.9728 -3.9701 -3.9640 -3.9581 -3.9547 -3.9483 -3.9464 -3.9404 -3.9358 -3.9193 -3.9098 -3.9062 -3.8990 -3.8962 -3.8840 -3.8785 -3.8756 -3.8676 -3.8635 -3.8565 -3.8501 -3.8476 -3.8449 -3.8360 -3.8299 -3.8161 -3.8106 -3.7912 -3.7724 -3.7656 -3.7561 -3.7405 -3.7302 -3.7221 -3.7189 -3.7090 -3.7040 -3.6893 -3.6782 -3.6700 -3.6628 -3.6595 -3.6554 -3.6496 -3.6459 -3.6407 -3.6332 -3.6296 -3.6254 -3.6187 -3.6109 -3.6054 -3.5964 -3.5841 -3.5644 -3.5547 -3.5396 -3.5313 -3.5225 -3.5101 -3.5018 -3.4839 -3.4788 -3.4760 -3.4713 -3.4598 -3.4512 -3.4433 -3.4375 -3.4332 -3.4202 -3.4100 -3.4015 -3.3989 -3.3862 -3.3796 -3.3726 -3.3649 -3.3629 -3.3567 -3.3539 -3.3491 -3.3440 -3.3421 -3.3375 -3.3293 -3.3240 -3.3218 -3.3153 -3.3096 -3.3029 -3.3006 -3.2768 -3.2690 -3.2653 -3.2597 -3.2480 -3.2408 -3.2369 -3.2298 -3.2187 -3.2109 -3.2006 -3.1939 -3.1804 -3.1762 -3.1665 -3.1588 -3.1455 -3.1413 -3.1306 -3.1248 -3.1221 -3.1115 -3.1058 -3.0969 -3.0916 -3.0853 -3.0826 -3.0767 -3.0683 -3.0620 -3.0307 -3.0270 -3.0143 -3.0037 -2.9975 -2.9911 -2.9794 -2.9778 -2.9704 -2.9636 -2.9600 -2.9558 -2.9492 -2.9428 -2.9395 -2.9358 -2.9299 -2.9283 -2.9239 -2.9191 -2.9137 -2.9049 -2.8992 -2.8952 -2.8891 -2.8861 -2.8807 -2.8749 -2.8700 -2.8605 -2.8592 -2.8508 -2.8426 -2.8376 -2.8279 -2.8234 -2.8151 -2.8024 -2.7700 -2.7563 -2.7489 -2.7265 -2.7145 -2.7111 -2.7020 -2.6795 -2.6556 -2.6216 -2.6154 -2.2515 -2.1359 -2.1169 -2.0904 -1.9238 -1.8727 -1.7605 -1.7187 -1.6321 -1.6051 -1.5646 -1.4518 -1.4144 -1.4050 -1.3143 -1.2498 -1.0575 -0.8003 -0.7321 -0.6146 -0.5940 -0.5529 -0.5400 -0.3713 -0.2808 -0.1888 0.0031 0.0533 0.0911 0.1851 0.2245 0.2742 0.3194 0.4324 0.5537 0.6579 0.7126 0.7794 0.8898 1.0046 1.0922 1.2275 1.6463 1.7980 1.8342 2.0774 2.1901 2.3642 2.4705 2.6421 2.8203 2.8680 2.8989 2.9452 2.9874 3.0749 3.1874 3.2528 3.3648 3.4007 3.4635 3.6874 3.8648 3.9563 4.0134 4.0728 4.1184 4.2072 4.2314 4.2681 4.3056 4.3298 4.3824 4.4836 4.5240 4.6568 4.7324 4.7755 4.8216 4.8601 4.8951 4.9199 4.9709 5.0290 5.0826 5.1116 5.1927 5.2117 5.2811 5.3080 5.3768 5.4654 5.5662 5.6614 5.7828 5.7897 5.8582 5.9035 5.9560 5.9889 6.0063 6.1066 6.1337 6.1621 6.2339 6.3391 6.3747 6.4519 6.4828 6.5771 6.6178 6.6370 6.6585 6.7336 6.7511 6.7946 6.8517 6.8974 6.9360 6.9864 6.9997 7.0563 7.0833 7.1248 7.1941 7.2399 7.2531 7.2788 7.3069 7.3668 7.4097 7.4845 7.5397 7.5748 7.6169 7.6724 7.6938 7.7191 7.7658 7.8108 7.8471 7.8994 7.9719 8.0261 8.1073 8.1703 8.2258 8.2706 8.3328 8.3720 8.4078 8.4427 8.4749 8.5081 8.5593 8.5846 8.6065 8.6443 8.6812 8.7336 8.7676 8.8285 8.8568 8.9446 8.9661 9.0066 9.0379 9.0734 9.0921 9.1555 9.2046 9.2789 9.3238 9.3521 9.3720 9.4081 9.4582 9.4929 9.5526 9.5798 9.6468 9.6682 9.6883 9.7369 9.7703 9.8381 9.8877 9.9428 9.9619 9.9933 10.0284 10.0729 10.1460 10.1833 10.2309 10.2672 10.3313 10.3557 10.3909 10.4323 10.4784 10.5089 10.5539 10.6074 10.6323 -16.5813 -16.5227 -16.4725 -16.4402 -16.3210 -9.7098 -8.6015 -8.5153 -8.2586 -8.2484 -7.6158 -7.6038 -7.5235 -7.3252 -7.2438 -7.2163 -7.0557 -6.7648 -6.7170 -6.5545 -6.3160 -6.1997 -6.1956 -6.1423 -6.1169 -6.0543 -6.0072 -5.9727 -5.9400 -5.9063 -5.8430 -5.8256 -5.8018 -5.7810 -5.7589 -5.7457 -5.7190 -5.6916 -5.6683 -5.6331 -5.6027 -5.5823 -5.5501 -5.5414 -5.4989 -5.4630 -5.4517 -5.4247 -5.4039 -5.3994 -5.3906 -5.3844 -5.3787 -5.3735 -5.3662 -5.3521 -5.3273 -5.3205 -5.2996 -5.2951 -5.2757 -5.2676 -5.2603 -5.2421 -5.2400 -5.2232 -5.2115 -5.1869 -5.1765 -5.1680 -5.1485 -5.1245 -5.1121 -5.0926 -5.0842 -5.0766 -5.0453 -5.0345 -5.0170 -4.9987 -4.9925 -4.9891 -4.9710 -4.9491 -4.9403 -4.9165 -4.9044 -4.8944 -4.8808 -4.8650 -4.8632 -4.8426 -4.8345 -4.8090 -4.8022 -4.7837 -4.7711 -4.7530 -4.7416 -4.7272 -4.7243 -4.7111 -4.7070 -4.6971 -4.6926 -4.6832 -4.6624 -4.6548 -4.6246 -4.6179 -4.6086 -4.6010 -4.5922 -4.5797 -4.5726 -4.5688 -4.5608 -4.5594 -4.5556 -4.5473 -4.5270 -4.5186 -4.5136 -4.5062 -4.4742 -4.4634 -4.4121 -4.4019 -4.3978 -4.3952 -4.3850 -4.3770 -4.3679 -4.3545 -4.3325 -4.3238 -4.3182 -4.3083 -4.3031 -4.2940 -4.2906 -4.2883 -4.2783 -4.2744 -4.2656 -4.2624 -4.2538 -4.2474 -4.2327 -4.2230 -4.2129 -4.2083 -4.1977 -4.1830 -4.1770 -4.1636 -4.1576 -4.1394 -4.1362 -4.1309 -4.1256 -4.1242 -4.1187 -4.1147 -4.1056 -4.1013 -4.0962 -4.0894 -4.0726 -4.0614 -4.0444 -4.0403 -4.0313 -4.0303 -4.0212 -4.0180 -4.0140 -4.0099 -4.0058 -4.0003 -3.9946 -3.9906 -3.9832 -3.9801 -3.9709 -3.9694 -3.9636 -3.9567 -3.9507 -3.9478 -3.9453 -3.9390 -3.9322 -3.9232 -3.9107 -3.9044 -3.8998 -3.8930 -3.8844 -3.8792 -3.8717 -3.8661 -3.8561 -3.8553 -3.8478 -3.8421 -3.8373 -3.8339 -3.8296 -3.8264 -3.8142 -3.7895 -3.7782 -3.7648 -3.7451 -3.7372 -3.7320 -3.7235 -3.7195 -3.7106 -3.6932 -3.6896 -3.6863 -3.6764 -3.6702 -3.6638 -3.6553 -3.6496 -3.6445 -3.6429 -3.6326 -3.6282 -3.6237 -3.6169 -3.6138 -3.6070 -3.5945 -3.5768 -3.5656 -3.5585 -3.5458 -3.5349 -3.5204 -3.5084 -3.4945 -3.4871 -3.4819 -3.4769 -3.4690 -3.4580 -3.4524 -3.4484 -3.4329 -3.4282 -3.4230 -3.4154 -3.4089 -3.3946 -3.3892 -3.3811 -3.3744 -3.3691 -3.3639 -3.3625 -3.3587 -3.3481 -3.3442 -3.3395 -3.3337 -3.3292 -3.3230 -3.3167 -3.3147 -3.3111 -3.3027 -3.2996 -3.2797 -3.2679 -3.2638 -3.2600 -3.2569 -3.2395 -3.2337 -3.2235 -3.2172 -3.2111 -3.2048 -3.1936 -3.1882 -3.1737 -3.1654 -3.1526 -3.1447 -3.1378 -3.1294 -3.1249 -3.1194 -3.1149 -3.1063 -3.0970 -3.0945 -3.0876 -3.0813 -3.0791 -3.0690 -3.0621 -3.0399 -3.0280 -3.0100 -3.0048 -2.9990 -2.9892 -2.9793 -2.9743 -2.9686 -2.9600 -2.9578 -2.9549 -2.9508 -2.9464 -2.9401 -2.9356 -2.9320 -2.9274 -2.9234 -2.9147 -2.9103 -2.9085 -2.9021 -2.8957 -2.8901 -2.8845 -2.8803 -2.8730 -2.8687 -2.8645 -2.8593 -2.8465 -2.8441 -2.8361 -2.8306 -2.8196 -2.8092 -2.8033 -2.7747 -2.7625 -2.7464 -2.7390 -2.7127 -2.7048 -2.6911 -2.6754 -2.6526 -2.6243 -2.6193 -2.2249 -2.1586 -2.1090 -2.0972 -1.9545 -1.9030 -1.7321 -1.7192 -1.6678 -1.5919 -1.5099 -1.4581 -1.4227 -1.3998 -1.2914 -1.2594 -1.1137 -0.7550 -0.7081 -0.5863 -0.5601 -0.5506 -0.5375 -0.3869 -0.3310 -0.1835 -0.0314 -0.0028 0.0676 0.1623 0.2499 0.3269 0.3932 0.4866 0.5090 0.6436 0.7375 0.8395 0.9266 0.9448 0.9652 1.2572 1.7098 1.7670 1.7752 2.0074 2.2663 2.3114 2.4489 2.7179 2.8360 2.8636 2.9020 2.9397 2.9922 3.0708 3.2124 3.2780 3.3111 3.4011 3.4806 3.7331 3.7903 3.9568 4.0300 4.0789 4.1312 4.1945 4.2320 4.2712 4.2804 4.3134 4.3947 4.4990 4.5587 4.6638 4.7457 4.7535 4.8076 4.8413 4.8909 4.9484 5.0074 5.0409 5.0499 5.1327 5.1832 5.2058 5.3026 5.3365 5.3665 5.4428 5.5446 5.7074 5.7356 5.8131 5.8458 5.8923 5.9304 5.9778 6.0129 6.0868 6.1562 6.1850 6.2671 6.3010 6.4066 6.4235 6.4699 6.5348 6.5673 6.6077 6.6785 6.7158 6.7592 6.8178 6.8444 6.8771 6.9069 6.9952 7.0250 7.0901 7.1239 7.1540 7.1910 7.2174 7.2786 7.2979 7.3423 7.3673 7.4371 7.4680 7.4961 7.5464 7.6022 7.6312 7.7041 7.7364 7.7992 7.8661 7.8729 7.9295 8.0198 8.0392 8.0878 8.1637 8.1908 8.2710 8.2940 8.3316 8.3677 8.4160 8.4577 8.4726 8.5080 8.5442 8.5818 8.6682 8.7220 8.7884 8.8118 8.8558 8.8776 8.9353 8.9572 9.0128 9.0462 9.0727 9.0992 9.1460 9.2227 9.2482 9.2555 9.3289 9.4116 9.4197 9.4703 9.4959 9.5352 9.5850 9.6013 9.6552 9.7220 9.7548 9.7751 9.8101 9.8614 9.9135 9.9400 9.9791 10.0050 10.0905 10.1505 10.1850 10.2409 10.2963 10.3451 10.3715 10.4220 10.4340 10.4883 10.5393 10.5610 10.5946 10.6497 -16.5594 -16.5366 -16.4921 -16.4359 -16.3136 -9.4806 -9.1063 -8.3918 -8.3860 -8.3034 -7.9637 -7.3557 -7.3260 -7.1427 -7.1306 -6.8821 -6.7013 -6.6266 -6.6210 -6.5929 -6.4477 -6.3692 -6.2873 -6.2355 -6.2109 -6.1068 -6.1027 -6.0407 -5.9809 -5.9352 -5.8816 -5.8694 -5.8229 -5.8138 -5.7906 -5.7621 -5.7511 -5.7138 -5.6981 -5.6796 -5.6368 -5.6202 -5.6115 -5.5930 -5.5371 -5.5016 -5.4646 -5.4468 -5.4246 -5.4103 -5.3877 -5.3614 -5.3483 -5.3330 -5.3233 -5.3172 -5.3101 -5.3016 -5.2912 -5.2859 -5.2681 -5.2545 -5.2425 -5.2325 -5.2221 -5.2190 -5.2026 -5.1958 -5.1590 -5.1475 -5.1303 -5.1118 -5.1023 -5.0859 -5.0717 -5.0662 -5.0601 -5.0531 -5.0425 -5.0341 -5.0291 -5.0091 -4.9903 -4.9681 -4.9544 -4.9156 -4.8929 -4.8912 -4.8766 -4.8647 -4.8526 -4.8305 -4.8085 -4.8050 -4.7947 -4.7922 -4.7813 -4.7719 -4.7586 -4.7524 -4.7428 -4.7367 -4.7277 -4.7115 -4.7039 -4.6853 -4.6762 -4.6583 -4.6405 -4.6222 -4.6062 -4.5949 -4.5914 -4.5820 -4.5777 -4.5729 -4.5562 -4.5345 -4.5287 -4.5144 -4.5033 -4.4963 -4.4754 -4.4546 -4.4268 -4.4115 -4.4045 -4.3945 -4.3835 -4.3720 -4.3677 -4.3637 -4.3609 -4.3482 -4.3347 -4.3274 -4.3184 -4.3077 -4.2991 -4.2900 -4.2869 -4.2685 -4.2610 -4.2539 -4.2447 -4.2359 -4.2297 -4.2202 -4.2170 -4.2074 -4.1961 -4.1815 -4.1736 -4.1637 -4.1627 -4.1593 -4.1500 -4.1402 -4.1334 -4.1259 -4.1208 -4.1151 -4.1062 -4.1045 -4.0996 -4.0941 -4.0930 -4.0867 -4.0827 -4.0769 -4.0708 -4.0657 -4.0634 -4.0569 -4.0512 -4.0485 -4.0407 -4.0347 -4.0326 -4.0260 -4.0233 -4.0189 -4.0162 -4.0073 -3.9934 -3.9917 -3.9818 -3.9791 -3.9745 -3.9694 -3.9608 -3.9484 -3.9414 -3.9356 -3.9304 -3.9217 -3.9175 -3.9051 -3.8966 -3.8882 -3.8809 -3.8743 -3.8622 -3.8570 -3.8455 -3.8300 -3.8222 -3.8139 -3.7975 -3.7948 -3.7810 -3.7695 -3.7555 -3.7545 -3.7440 -3.7320 -3.7185 -3.7016 -3.6886 -3.6806 -3.6717 -3.6616 -3.6588 -3.6521 -3.6473 -3.6411 -3.6369 -3.6299 -3.6255 -3.6202 -3.6177 -3.6120 -3.5986 -3.5874 -3.5842 -3.5769 -3.5712 -3.5483 -3.5442 -3.5267 -3.5240 -3.5145 -3.5047 -3.5011 -3.4902 -3.4833 -3.4704 -3.4677 -3.4550 -3.4410 -3.4291 -3.4123 -3.4074 -3.4001 -3.3903 -3.3842 -3.3817 -3.3796 -3.3591 -3.3560 -3.3486 -3.3428 -3.3398 -3.3367 -3.3304 -3.3276 -3.3201 -3.3150 -3.3040 -3.3018 -3.2889 -3.2820 -3.2750 -3.2583 -3.2536 -3.2483 -3.2440 -3.2370 -3.2286 -3.2213 -3.2156 -3.2019 -3.1991 -3.1946 -3.1899 -3.1803 -3.1707 -3.1628 -3.1561 -3.1510 -3.1461 -3.1396 -3.1351 -3.1199 -3.1120 -3.1043 -3.0921 -3.0873 -3.0857 -3.0795 -3.0749 -3.0659 -3.0544 -3.0457 -3.0433 -3.0372 -3.0296 -3.0246 -3.0195 -3.0159 -3.0129 -3.0079 -3.0061 -2.9994 -2.9954 -2.9920 -2.9839 -2.9796 -2.9716 -2.9670 -2.9656 -2.9583 -2.9517 -2.9472 -2.9434 -2.9377 -2.9362 -2.9317 -2.9271 -2.9217 -2.9156 -2.9066 -2.9060 -2.9007 -2.8969 -2.8895 -2.8839 -2.8791 -2.8636 -2.8566 -2.8438 -2.8391 -2.8233 -2.8118 -2.7944 -2.7871 -2.7599 -2.7303 -2.7078 -2.7057 -2.6908 -2.6744 -2.6356 -2.6209 -2.5933 -2.5751 -2.5204 -2.4780 -2.4231 -2.2652 -2.2044 -2.0830 -1.9670 -1.8864 -1.5329 -1.4659 -1.4429 -1.4143 -1.3949 -1.2822 -1.2042 -1.0777 -1.0086 -0.8929 -0.7796 -0.7230 -0.6923 -0.6219 -0.5061 -0.3962 -0.1628 -0.0052 0.2351 0.4138 0.5278 0.5469 0.5896 0.6904 0.7911 0.9919 1.1541 1.1926 1.3083 1.3445 1.3888 1.4293 1.5215 1.6328 1.7343 1.9077 2.0211 2.0407 2.1101 2.2253 2.3982 2.4115 2.6734 2.7080 3.0449 3.1261 3.1850 3.2242 3.3529 3.3842 3.5111 3.5603 3.5940 3.6374 3.7059 3.7522 3.8313 3.8744 3.9240 3.9946 4.0866 4.1522 4.1911 4.2280 4.3153 4.4430 4.4627 4.5563 4.6784 4.7474 4.7626 4.8369 4.8598 4.9629 5.0047 5.0502 5.0949 5.1641 5.1977 5.2656 5.3419 5.3963 5.4378 5.5091 5.5446 5.6060 5.6430 5.7389 5.7839 5.8149 5.8999 5.9608 6.0330 6.0557 6.1270 6.1771 6.2230 6.2872 6.3281 6.4057 6.4909 6.5739 6.6056 6.6361 6.6737 6.7205 6.7415 6.8462 6.8782 6.9065 6.9640 6.9931 7.0264 7.0898 7.1642 7.2301 7.2537 7.3327 7.3835 7.4392 7.4706 7.5063 7.5218 7.5627 7.6141 7.7321 7.7595 7.8090 7.8372 7.8628 7.9355 7.9913 8.0327 8.1005 8.1439 8.1855 8.2413 8.2813 8.3133 8.3369 8.3802 8.4034 8.4401 8.4936 8.5174 8.5705 8.6296 8.6393 8.6936 8.7622 8.7727 8.8248 8.8737 8.9192 8.9545 8.9944 9.0750 9.1439 9.1773 9.2125 9.2722 9.2861 9.3380 9.3677 9.4320 9.4621 9.4843 9.5327 9.6015 9.6272 9.7091 9.7737 9.7862 9.8684 9.9017 9.9375 9.9631 10.0181 10.0295 10.0769 10.1152 10.1450 10.1969 10.2253 10.2562 10.3006 10.3298 10.3807 10.4318 10.4761 10.5355 10.5556 10.5791 10.6085 10.6593 10.6711 -16.5653 -16.5432 -16.4762 -16.4325 -16.3204 -9.4810 -9.1069 -8.3932 -8.3831 -8.3045 -7.9656 -7.3508 -7.3260 -7.1441 -7.1286 -6.8859 -6.6993 -6.6323 -6.6232 -6.5933 -6.4482 -6.3651 -6.2808 -6.2268 -6.1756 -6.1193 -6.0967 -6.0643 -5.9768 -5.9197 -5.9011 -5.8780 -5.8303 -5.8131 -5.7918 -5.7654 -5.7375 -5.7170 -5.6883 -5.6756 -5.6566 -5.6223 -5.6164 -5.5798 -5.5543 -5.5379 -5.4917 -5.4556 -5.4194 -5.4103 -5.3971 -5.3443 -5.3329 -5.3248 -5.3154 -5.3076 -5.3009 -5.2927 -5.2850 -5.2742 -5.2628 -5.2539 -5.2411 -5.2308 -5.2199 -5.2077 -5.2041 -5.1837 -5.1692 -5.1532 -5.1294 -5.1149 -5.0995 -5.0902 -5.0786 -5.0675 -5.0583 -5.0530 -5.0415 -5.0359 -5.0202 -4.9964 -4.9700 -4.9589 -4.9414 -4.9309 -4.9158 -4.8808 -4.8766 -4.8638 -4.8568 -4.8333 -4.8146 -4.8033 -4.7914 -4.7840 -4.7777 -4.7719 -4.7615 -4.7532 -4.7489 -4.7311 -4.7221 -4.7155 -4.7031 -4.6910 -4.6795 -4.6755 -4.6592 -4.6430 -4.6090 -4.5995 -4.5935 -4.5864 -4.5784 -4.5734 -4.5498 -4.5355 -4.5251 -4.5202 -4.5035 -4.5015 -4.4823 -4.4471 -4.4323 -4.4218 -4.4031 -4.3919 -4.3856 -4.3790 -4.3744 -4.3610 -4.3557 -4.3444 -4.3417 -4.3354 -4.3175 -4.3078 -4.2906 -4.2871 -4.2829 -4.2697 -4.2649 -4.2510 -4.2487 -4.2308 -4.2252 -4.2173 -4.2112 -4.1996 -4.1952 -4.1876 -4.1787 -4.1675 -4.1627 -4.1567 -4.1497 -4.1405 -4.1337 -4.1253 -4.1185 -4.1132 -4.1104 -4.1036 -4.1003 -4.0945 -4.0884 -4.0859 -4.0830 -4.0752 -4.0719 -4.0670 -4.0628 -4.0571 -4.0523 -4.0456 -4.0432 -4.0342 -4.0306 -4.0253 -4.0214 -4.0167 -4.0122 -4.0061 -3.9966 -3.9873 -3.9844 -3.9786 -3.9736 -3.9690 -3.9584 -3.9439 -3.9420 -3.9292 -3.9212 -3.9159 -3.9140 -3.9050 -3.8996 -3.8874 -3.8760 -3.8643 -3.8565 -3.8466 -3.8362 -3.8284 -3.8147 -3.8057 -3.8026 -3.7914 -3.7878 -3.7689 -3.7597 -3.7470 -3.7315 -3.7228 -3.7150 -3.7080 -3.7000 -3.6851 -3.6798 -3.6767 -3.6670 -3.6601 -3.6498 -3.6423 -3.6391 -3.6353 -3.6296 -3.6251 -3.6170 -3.6092 -3.6036 -3.5923 -3.5756 -3.5710 -3.5627 -3.5579 -3.5403 -3.5282 -3.5192 -3.5130 -3.5077 -3.5059 -3.4948 -3.4877 -3.4713 -3.4654 -3.4522 -3.4440 -3.4332 -3.4187 -3.4075 -3.4013 -3.3919 -3.3875 -3.3825 -3.3740 -3.3692 -3.3556 -3.3487 -3.3468 -3.3432 -3.3411 -3.3334 -3.3252 -3.3193 -3.3125 -3.3027 -3.3004 -3.2875 -3.2791 -3.2743 -3.2602 -3.2522 -3.2461 -3.2449 -3.2388 -3.2321 -3.2232 -3.2092 -3.2034 -3.1976 -3.1901 -3.1883 -3.1793 -3.1708 -3.1617 -3.1563 -3.1532 -3.1474 -3.1356 -3.1279 -3.1180 -3.1091 -3.1064 -3.0982 -3.0889 -3.0857 -3.0803 -3.0741 -3.0659 -3.0592 -3.0500 -3.0431 -3.0353 -3.0319 -3.0225 -3.0201 -3.0130 -3.0099 -3.0047 -3.0033 -3.0009 -2.9954 -2.9923 -2.9821 -2.9793 -2.9706 -2.9675 -2.9628 -2.9610 -2.9460 -2.9425 -2.9379 -2.9373 -2.9339 -2.9309 -2.9275 -2.9219 -2.9169 -2.9130 -2.9054 -2.8981 -2.8962 -2.8884 -2.8812 -2.8741 -2.8658 -2.8538 -2.8440 -2.8348 -2.8265 -2.8166 -2.8081 -2.7937 -2.7747 -2.7478 -2.7339 -2.6905 -2.6850 -2.6668 -2.6491 -2.6156 -2.6030 -2.5543 -2.5359 -2.5112 -2.3512 -2.2937 -2.1401 -2.1264 -1.9811 -1.9340 -1.5097 -1.4511 -1.4255 -1.3855 -1.3716 -1.3286 -1.2436 -1.0660 -0.9434 -0.8600 -0.7823 -0.7170 -0.6889 -0.6045 -0.5284 -0.4571 -0.1112 -0.0815 0.3190 0.4789 0.5401 0.5573 0.5833 0.7369 0.7696 0.9453 1.0589 1.1574 1.3238 1.3299 1.3791 1.4557 1.5149 1.5682 1.8036 1.8402 1.8747 2.0557 2.1345 2.2835 2.3801 2.4235 2.6757 2.8398 3.0533 3.1075 3.2065 3.2529 3.3341 3.4196 3.4762 3.5246 3.6021 3.6469 3.7108 3.7385 3.7715 3.8224 3.9138 4.0332 4.0845 4.1776 4.2024 4.2646 4.3476 4.4551 4.4845 4.5780 4.6550 4.7238 4.7719 4.8219 4.9098 4.9328 4.9566 5.0458 5.1167 5.1597 5.2318 5.3522 5.3847 5.4234 5.4498 5.5019 5.5347 5.5966 5.6181 5.6718 5.7532 5.8513 5.8973 5.9710 6.0225 6.0484 6.1137 6.1744 6.2477 6.3090 6.3662 6.3781 6.4257 6.5168 6.5504 6.6009 6.6284 6.7124 6.7588 6.7851 6.8769 6.8978 6.9654 7.0244 7.0544 7.0992 7.1782 7.2283 7.2734 7.3363 7.4136 7.4501 7.4690 7.4851 7.5450 7.6171 7.6430 7.6931 7.7596 7.8033 7.8146 7.8685 7.9427 7.9652 8.0479 8.0681 8.1602 8.2014 8.2430 8.2762 8.3113 8.3412 8.3722 8.4083 8.4494 8.5078 8.5335 8.5595 8.5997 8.6637 8.6803 8.7298 8.7607 8.8017 8.8649 8.8937 8.9509 8.9893 9.0694 9.1539 9.1958 9.2262 9.2634 9.3107 9.3392 9.3926 9.4270 9.4628 9.5175 9.5759 9.6316 9.6574 9.6765 9.7353 9.7597 9.7977 9.8365 9.8829 9.9438 9.9816 10.0038 10.0668 10.1055 10.1206 10.2155 10.2710 10.2769 10.3477 10.3698 10.4101 10.4257 10.4994 10.5286 10.5646 10.6311 10.6428 10.6835 10.7070 -16.5823 -16.5155 -16.4712 -16.4515 -16.3172 -9.7097 -8.6011 -8.5152 -8.2587 -8.2489 -7.6155 -7.6050 -7.5220 -7.3250 -7.2381 -7.2235 -7.0556 -6.7515 -6.7309 -6.5539 -6.3175 -6.1992 -6.1900 -6.1612 -6.1060 -6.0633 -5.9934 -5.9685 -5.9377 -5.8978 -5.8584 -5.8265 -5.7970 -5.7827 -5.7669 -5.7515 -5.7141 -5.6883 -5.6724 -5.6470 -5.5840 -5.5675 -5.5422 -5.5363 -5.5139 -5.4752 -5.4524 -5.4201 -5.4139 -5.3970 -5.3909 -5.3832 -5.3798 -5.3716 -5.3647 -5.3502 -5.3265 -5.3125 -5.3105 -5.2932 -5.2804 -5.2737 -5.2520 -5.2493 -5.2400 -5.2272 -5.2095 -5.1922 -5.1689 -5.1660 -5.1431 -5.1299 -5.1161 -5.1000 -5.0850 -5.0587 -5.0473 -5.0312 -5.0143 -5.0048 -4.9949 -4.9838 -4.9661 -4.9535 -4.9439 -4.9189 -4.9071 -4.8838 -4.8750 -4.8650 -4.8612 -4.8453 -4.8343 -4.8230 -4.8001 -4.7837 -4.7740 -4.7557 -4.7396 -4.7315 -4.7245 -4.7125 -4.7117 -4.7016 -4.6950 -4.6775 -4.6584 -4.6460 -4.6320 -4.6237 -4.6087 -4.5995 -4.5893 -4.5748 -4.5699 -4.5639 -4.5615 -4.5589 -4.5523 -4.5370 -4.5293 -4.5207 -4.5141 -4.4994 -4.4712 -4.4674 -4.4166 -4.4052 -4.4001 -4.3950 -4.3853 -4.3795 -4.3724 -4.3467 -4.3337 -4.3254 -4.3183 -4.3084 -4.3031 -4.2950 -4.2896 -4.2841 -4.2816 -4.2786 -4.2679 -4.2590 -4.2539 -4.2455 -4.2277 -4.2226 -4.2143 -4.2052 -4.1944 -4.1778 -4.1755 -4.1638 -4.1564 -4.1416 -4.1384 -4.1310 -4.1290 -4.1224 -4.1203 -4.1112 -4.1092 -4.1013 -4.0995 -4.0881 -4.0722 -4.0575 -4.0430 -4.0392 -4.0335 -4.0300 -4.0232 -4.0151 -4.0137 -4.0099 -4.0044 -3.9985 -3.9922 -3.9914 -3.9831 -3.9811 -3.9727 -3.9712 -3.9651 -3.9529 -3.9513 -3.9473 -3.9454 -3.9386 -3.9334 -3.9218 -3.9101 -3.9080 -3.9006 -3.8902 -3.8844 -3.8791 -3.8724 -3.8690 -3.8642 -3.8550 -3.8503 -3.8467 -3.8411 -3.8329 -3.8227 -3.8170 -3.8095 -3.7956 -3.7813 -3.7643 -3.7481 -3.7411 -3.7299 -3.7259 -3.7180 -3.7132 -3.7008 -3.6871 -3.6838 -3.6731 -3.6688 -3.6599 -3.6548 -3.6480 -3.6435 -3.6371 -3.6348 -3.6299 -3.6263 -3.6234 -3.6109 -3.6034 -3.5883 -3.5848 -3.5683 -3.5614 -3.5444 -3.5313 -3.5282 -3.5117 -3.4918 -3.4866 -3.4809 -3.4749 -3.4711 -3.4590 -3.4533 -3.4430 -3.4331 -3.4276 -3.4210 -3.4140 -3.4037 -3.4011 -3.3906 -3.3792 -3.3764 -3.3686 -3.3647 -3.3598 -3.3548 -3.3473 -3.3451 -3.3399 -3.3341 -3.3278 -3.3235 -3.3162 -3.3139 -3.3090 -3.3015 -3.3005 -3.2806 -3.2667 -3.2627 -3.2602 -3.2509 -3.2475 -3.2371 -3.2273 -3.2148 -3.2088 -3.2056 -3.1925 -3.1835 -3.1716 -3.1638 -3.1529 -3.1493 -3.1431 -3.1305 -3.1268 -3.1235 -3.1106 -3.1030 -3.0950 -3.0914 -3.0882 -3.0818 -3.0784 -3.0691 -3.0601 -3.0360 -3.0326 -3.0130 -3.0017 -2.9972 -2.9937 -2.9785 -2.9723 -2.9682 -2.9610 -2.9592 -2.9537 -2.9498 -2.9444 -2.9423 -2.9359 -2.9337 -2.9275 -2.9214 -2.9164 -2.9105 -2.9079 -2.9005 -2.8976 -2.8899 -2.8881 -2.8795 -2.8757 -2.8695 -2.8634 -2.8574 -2.8512 -2.8426 -2.8349 -2.8326 -2.8149 -2.8079 -2.8009 -2.7741 -2.7634 -2.7352 -2.7272 -2.7140 -2.7114 -2.7012 -2.6899 -2.6581 -2.6368 -2.6073 -2.2303 -2.1314 -2.1168 -2.0965 -1.9940 -1.8660 -1.7421 -1.7039 -1.6461 -1.5875 -1.5302 -1.4879 -1.4254 -1.3898 -1.2868 -1.2751 -1.0908 -0.7407 -0.7241 -0.6207 -0.5617 -0.5448 -0.5260 -0.4098 -0.2973 -0.1967 -0.0352 0.0392 0.0764 0.1469 0.2442 0.2966 0.3876 0.4684 0.6057 0.6386 0.6741 0.8513 0.8627 0.9380 1.0666 1.2001 1.6818 1.8124 1.8558 2.0211 2.1968 2.3458 2.4526 2.6972 2.8351 2.8486 2.8907 2.9523 2.9782 3.0562 3.2081 3.2624 3.3465 3.4121 3.4739 3.6799 3.8255 3.9784 4.0201 4.0336 4.1306 4.1834 4.2471 4.2828 4.2919 4.3185 4.3848 4.4950 4.5698 4.6648 4.7056 4.7484 4.8168 4.8480 4.8902 4.9312 4.9856 5.0422 5.0799 5.1366 5.1595 5.2349 5.2773 5.3146 5.4031 5.4381 5.5507 5.6749 5.7656 5.8152 5.8391 5.9091 5.9585 6.0037 6.0738 6.1105 6.1356 6.1782 6.2447 6.3228 6.3682 6.3984 6.4978 6.5276 6.5752 6.6134 6.6788 6.7106 6.7743 6.8070 6.8525 6.9014 6.9284 6.9854 7.0072 7.0390 7.0859 7.1567 7.1827 7.2342 7.2584 7.3035 7.3653 7.3945 7.4210 7.4487 7.4911 7.5397 7.6280 7.6332 7.6807 7.7063 7.7909 7.8273 7.8687 7.9599 8.0150 8.0544 8.1338 8.1734 8.2514 8.2950 8.3065 8.3458 8.3963 8.4396 8.4441 8.4879 8.5159 8.5663 8.5975 8.6220 8.6804 8.7247 8.7827 8.8551 8.8828 8.9177 8.9851 9.0097 9.0565 9.0983 9.1335 9.1640 9.2212 9.2411 9.2696 9.3239 9.3666 9.3811 9.4534 9.4841 9.5237 9.5538 9.6068 9.6721 9.6923 9.7399 9.7946 9.8532 9.8683 9.9232 9.9844 10.0277 10.0500 10.0777 10.1246 10.1994 10.2226 10.2563 10.2849 10.3271 10.3852 10.4473 10.4806 10.5052 10.5573 10.5943 10.6127 -16.5700 -16.5249 -16.4831 -16.4474 -16.3124 -9.5566 -8.8172 -8.8115 -8.3734 -7.7927 -7.7846 -7.7117 -7.6989 -6.9577 -6.9518 -6.9408 -6.8790 -6.8367 -6.6397 -6.4583 -6.4379 -6.3402 -6.2704 -6.1314 -6.1248 -6.0968 -6.0702 -6.0562 -6.0254 -5.9798 -5.8675 -5.8552 -5.8264 -5.8121 -5.7801 -5.7622 -5.7317 -5.7063 -5.6951 -5.6738 -5.6465 -5.6180 -5.5952 -5.5540 -5.5308 -5.5056 -5.4861 -5.4559 -5.4515 -5.4450 -5.4098 -5.3694 -5.3532 -5.3507 -5.3411 -5.3285 -5.3022 -5.2997 -5.2758 -5.2580 -5.2403 -5.2378 -5.2188 -5.2099 -5.1988 -5.1941 -5.1833 -5.1701 -5.1636 -5.1524 -5.1466 -5.1428 -5.1299 -5.1149 -5.1032 -5.0879 -5.0838 -5.0536 -5.0272 -5.0043 -4.9966 -4.9891 -4.9552 -4.9432 -4.9307 -4.9134 -4.9080 -4.9001 -4.8862 -4.8772 -4.8617 -4.8478 -4.8376 -4.8256 -4.8148 -4.8039 -4.7905 -4.7795 -4.7631 -4.7458 -4.7374 -4.7261 -4.7112 -4.6985 -4.6917 -4.6857 -4.6512 -4.6489 -4.6443 -4.6370 -4.6169 -4.6107 -4.6012 -4.5756 -4.5681 -4.5568 -4.5415 -4.5256 -4.5089 -4.5065 -4.5048 -4.4897 -4.4545 -4.4414 -4.4343 -4.4311 -4.4225 -4.4030 -4.3926 -4.3727 -4.3645 -4.3580 -4.3542 -4.3473 -4.3403 -4.3297 -4.3241 -4.3172 -4.3109 -4.3047 -4.2947 -4.2831 -4.2719 -4.2651 -4.2573 -4.2489 -4.2366 -4.2304 -4.2162 -4.2114 -4.2047 -4.1927 -4.1892 -4.1840 -4.1804 -4.1705 -4.1591 -4.1552 -4.1504 -4.1312 -4.1293 -4.1213 -4.1160 -4.1089 -4.1076 -4.1050 -4.1026 -4.1009 -4.0936 -4.0871 -4.0791 -4.0690 -4.0607 -4.0586 -4.0492 -4.0421 -4.0357 -4.0304 -4.0242 -4.0097 -4.0039 -4.0005 -3.9945 -3.9897 -3.9843 -3.9738 -3.9655 -3.9589 -3.9557 -3.9417 -3.9354 -3.9303 -3.9268 -3.9206 -3.9095 -3.9037 -3.9001 -3.8936 -3.8879 -3.8854 -3.8818 -3.8743 -3.8684 -3.8582 -3.8423 -3.8327 -3.8183 -3.8018 -3.7927 -3.7768 -3.7628 -3.7526 -3.7455 -3.7412 -3.7349 -3.7161 -3.7139 -3.7086 -3.6960 -3.6871 -3.6801 -3.6746 -3.6677 -3.6623 -3.6573 -3.6461 -3.6408 -3.6380 -3.6326 -3.6248 -3.6194 -3.6114 -3.6083 -3.6058 -3.5989 -3.5884 -3.5791 -3.5732 -3.5675 -3.5549 -3.5402 -3.5314 -3.5290 -3.5122 -3.5013 -3.4946 -3.4882 -3.4817 -3.4583 -3.4468 -3.4397 -3.4231 -3.4129 -3.3984 -3.3935 -3.3848 -3.3756 -3.3682 -3.3624 -3.3583 -3.3513 -3.3462 -3.3404 -3.3321 -3.3253 -3.3193 -3.3171 -3.3076 -3.3062 -3.2962 -3.2921 -3.2887 -3.2809 -3.2789 -3.2692 -3.2594 -3.2561 -3.2466 -3.2342 -3.2268 -3.2169 -3.2104 -3.2029 -3.1986 -3.1946 -3.1888 -3.1837 -3.1756 -3.1706 -3.1606 -3.1572 -3.1522 -3.1401 -3.1244 -3.1182 -3.1114 -3.1093 -3.1074 -3.0983 -3.0960 -3.0830 -3.0761 -3.0702 -3.0596 -3.0560 -3.0426 -3.0365 -3.0323 -3.0208 -3.0158 -3.0058 -3.0017 -2.9932 -2.9913 -2.9841 -2.9806 -2.9780 -2.9725 -2.9686 -2.9623 -2.9616 -2.9575 -2.9534 -2.9506 -2.9471 -2.9448 -2.9343 -2.9285 -2.9276 -2.9161 -2.9122 -2.9057 -2.9017 -2.8976 -2.8851 -2.8805 -2.8777 -2.8746 -2.8691 -2.8631 -2.8359 -2.8305 -2.8197 -2.8037 -2.7994 -2.7697 -2.7498 -2.7417 -2.7335 -2.7233 -2.6984 -2.6870 -2.6605 -2.6029 -2.5917 -2.5277 -2.3586 -2.2438 -2.1930 -2.1260 -2.0995 -2.0915 -2.0579 -1.8577 -1.7117 -1.6134 -1.5793 -1.4780 -1.4052 -1.3876 -1.2185 -1.1743 -0.8793 -0.7298 -0.6276 -0.5473 -0.5292 -0.4861 -0.2279 -0.0966 -0.0509 -0.0034 0.0822 0.1696 0.2472 0.3054 0.4267 0.5349 0.5457 0.7226 0.9102 0.9870 1.1986 1.3538 1.4187 1.5042 1.5525 1.6760 1.7810 1.7999 1.9389 2.2722 2.3317 2.3866 2.4070 2.5344 2.8017 2.8418 2.9860 3.0223 3.2632 3.3118 3.3728 3.4127 3.4547 3.4783 3.5790 3.6515 3.6873 3.7114 3.7515 3.8093 3.8633 3.9963 4.0858 4.1503 4.2305 4.3649 4.4043 4.4826 4.5701 4.6134 4.6812 4.6981 4.7583 4.8194 4.9069 4.9246 5.0160 5.0762 5.1185 5.1830 5.2305 5.3245 5.3702 5.4082 5.4395 5.5491 5.5973 5.6495 5.6647 5.7385 5.7751 5.8871 5.9098 5.9839 6.0282 6.0578 6.1327 6.1875 6.2494 6.3215 6.3530 6.3956 6.4647 6.4929 6.5228 6.5426 6.6161 6.6717 6.6968 6.8062 6.8818 6.9361 6.9922 7.0073 7.0761 7.1717 7.2343 7.2713 7.3177 7.3667 7.4496 7.4988 7.5499 7.5855 7.6242 7.6494 7.6833 7.7184 7.7618 7.7880 7.8022 7.8409 7.8690 7.9313 7.9556 7.9931 8.0429 8.0980 8.1494 8.1822 8.1960 8.2575 8.2739 8.3470 8.4174 8.4824 8.5152 8.5913 8.6392 8.6788 8.6996 8.7550 8.8021 8.8754 8.9428 8.9973 9.0374 9.0713 9.0866 9.1089 9.1460 9.1919 9.2491 9.3303 9.3608 9.3961 9.4548 9.4578 9.4880 9.5272 9.5423 9.6137 9.6552 9.6917 9.7773 9.8047 9.8408 9.8691 9.9288 9.9466 9.9581 9.9822 10.0398 10.0915 10.1179 10.1497 10.1775 10.2348 10.2801 10.3149 10.3831 10.4176 10.4371 10.5145 10.5266 10.5837 10.6441 10.6753 -16.5750 -16.5221 -16.4842 -16.4396 -16.3167 -9.5569 -8.8168 -8.8120 -8.3742 -7.7913 -7.7853 -7.7068 -7.7035 -6.9609 -6.9529 -6.9349 -6.8700 -6.8485 -6.6368 -6.4634 -6.4475 -6.3271 -6.2586 -6.1337 -6.1148 -6.0979 -6.0615 -6.0501 -6.0170 -5.9566 -5.9161 -5.8630 -5.8440 -5.8125 -5.8007 -5.7666 -5.7446 -5.7076 -5.6777 -5.6560 -5.6348 -5.6124 -5.5624 -5.5532 -5.5444 -5.5342 -5.4968 -5.4819 -5.4519 -5.4419 -5.4296 -5.3671 -5.3536 -5.3495 -5.3388 -5.3117 -5.2922 -5.2772 -5.2616 -5.2492 -5.2414 -5.2292 -5.2144 -5.2078 -5.2043 -5.1847 -5.1807 -5.1713 -5.1675 -5.1588 -5.1445 -5.1411 -5.1318 -5.1177 -5.1131 -5.0884 -5.0818 -5.0646 -5.0419 -5.0024 -4.9792 -4.9723 -4.9533 -4.9483 -4.9317 -4.9249 -4.9088 -4.8990 -4.8835 -4.8696 -4.8636 -4.8448 -4.8357 -4.8281 -4.8103 -4.8025 -4.7884 -4.7748 -4.7606 -4.7495 -4.7427 -4.7242 -4.7142 -4.6978 -4.6916 -4.6798 -4.6684 -4.6502 -4.6427 -4.6397 -4.6292 -4.6122 -4.6060 -4.5775 -4.5703 -4.5634 -4.5569 -4.5224 -4.5129 -4.5088 -4.5031 -4.4868 -4.4513 -4.4464 -4.4362 -4.4269 -4.4156 -4.3989 -4.3914 -4.3754 -4.3663 -4.3619 -4.3552 -4.3458 -4.3394 -4.3291 -4.3210 -4.3157 -4.3135 -4.3050 -4.2996 -4.2847 -4.2712 -4.2671 -4.2527 -4.2453 -4.2423 -4.2258 -4.2188 -4.2086 -4.1966 -4.1912 -4.1894 -4.1860 -4.1784 -4.1743 -4.1605 -4.1576 -4.1459 -4.1372 -4.1289 -4.1205 -4.1125 -4.1089 -4.1066 -4.1054 -4.1013 -4.1003 -4.0958 -4.0902 -4.0780 -4.0711 -4.0638 -4.0541 -4.0458 -4.0451 -4.0377 -4.0265 -4.0167 -4.0097 -4.0077 -3.9990 -3.9937 -3.9912 -3.9848 -3.9714 -3.9630 -3.9594 -3.9524 -3.9476 -3.9405 -3.9314 -3.9253 -3.9190 -3.9094 -3.9007 -3.8976 -3.8921 -3.8879 -3.8851 -3.8817 -3.8751 -3.8663 -3.8595 -3.8370 -3.8326 -3.8019 -3.7973 -3.7803 -3.7743 -3.7615 -3.7543 -3.7433 -3.7391 -3.7320 -3.7250 -3.7130 -3.7060 -3.6988 -3.6935 -3.6831 -3.6726 -3.6658 -3.6633 -3.6556 -3.6481 -3.6456 -3.6382 -3.6330 -3.6263 -3.6179 -3.6162 -3.6104 -3.6017 -3.5948 -3.5899 -3.5834 -3.5744 -3.5678 -3.5543 -3.5467 -3.5288 -3.5203 -3.5167 -3.5053 -3.4916 -3.4887 -3.4749 -3.4651 -3.4530 -3.4392 -3.4231 -3.4181 -3.4016 -3.3957 -3.3865 -3.3788 -3.3771 -3.3654 -3.3584 -3.3515 -3.3446 -3.3385 -3.3331 -3.3286 -3.3224 -3.3123 -3.3082 -3.3047 -3.2977 -3.2957 -3.2876 -3.2804 -3.2713 -3.2681 -3.2619 -3.2532 -3.2480 -3.2370 -3.2317 -3.2207 -3.2094 -3.2023 -3.1958 -3.1922 -3.1831 -3.1783 -3.1734 -3.1656 -3.1623 -3.1577 -3.1566 -3.1453 -3.1228 -3.1140 -3.1111 -3.1086 -3.1069 -3.1035 -3.0930 -3.0831 -3.0747 -3.0705 -3.0605 -3.0546 -3.0452 -3.0333 -3.0280 -3.0231 -3.0211 -3.0037 -2.9978 -2.9962 -2.9911 -2.9877 -2.9808 -2.9759 -2.9705 -2.9657 -2.9626 -2.9598 -2.9551 -2.9523 -2.9477 -2.9463 -2.9414 -2.9390 -2.9362 -2.9249 -2.9195 -2.9120 -2.9038 -2.9007 -2.8949 -2.8903 -2.8847 -2.8820 -2.8744 -2.8667 -2.8539 -2.8437 -2.8284 -2.8199 -2.8147 -2.8008 -2.7857 -2.7732 -2.7441 -2.7264 -2.7030 -2.6871 -2.6696 -2.6566 -2.6215 -2.5912 -2.5411 -2.2988 -2.2486 -2.1724 -2.1356 -2.1219 -2.1063 -2.0749 -1.8170 -1.7781 -1.6016 -1.5907 -1.5457 -1.3814 -1.3072 -1.2448 -1.1651 -0.8480 -0.7572 -0.5956 -0.5537 -0.5156 -0.4690 -0.1495 -0.1372 -0.0644 -0.0351 0.0232 0.1858 0.2412 0.3600 0.4833 0.5070 0.6225 0.6469 0.8497 1.0574 1.1118 1.3443 1.4133 1.5414 1.5712 1.6781 1.7248 1.8272 1.9156 2.2233 2.3180 2.3539 2.3698 2.5663 2.8171 2.9282 2.9836 3.0337 3.2687 3.3423 3.3959 3.4167 3.4645 3.4887 3.5623 3.6097 3.6555 3.6886 3.7365 3.7875 3.9096 4.0340 4.1092 4.1699 4.2359 4.3915 4.4284 4.4836 4.5532 4.6168 4.6479 4.6759 4.7369 4.8286 4.8899 4.9066 4.9530 5.0457 5.1590 5.1837 5.2643 5.3487 5.4030 5.4318 5.4946 5.5442 5.5894 5.6323 5.6823 5.7184 5.7912 5.8867 5.9133 5.9703 6.0070 6.0717 6.1328 6.2137 6.2639 6.2999 6.3591 6.3846 6.4396 6.4718 6.5076 6.5322 6.5587 6.6125 6.6889 6.7599 6.8786 6.9348 7.0117 7.0637 7.1179 7.1535 7.2190 7.2720 7.3681 7.4125 7.4548 7.4925 7.5501 7.5770 7.6097 7.6458 7.6617 7.7286 7.7635 7.7947 7.8400 7.8668 7.8783 7.9097 7.9508 7.9704 8.0072 8.0916 8.1156 8.1824 8.2231 8.2682 8.3310 8.3768 8.4062 8.4773 8.5590 8.6280 8.6545 8.6661 8.7422 8.7779 8.8235 8.8645 8.9055 8.9424 8.9632 9.0157 9.0404 9.1180 9.1454 9.1911 9.2342 9.2508 9.2894 9.3837 9.4287 9.4459 9.5143 9.5497 9.5902 9.6125 9.6533 9.6985 9.7484 9.7671 9.7984 9.8568 9.8909 9.9631 9.9926 10.0453 10.0636 10.1220 10.1642 10.1827 10.2327 10.2750 10.3013 10.3496 10.3796 10.4433 10.4785 10.4942 10.5452 10.5807 10.6147 10.6530 -16.5562 -16.5374 -16.4964 -16.4345 -16.3131 -9.2572 -9.2525 -8.8866 -8.0990 -8.0960 -7.8490 -7.7694 -7.2367 -7.2292 -6.9072 -6.7268 -6.7193 -6.5385 -6.5277 -6.4825 -6.4631 -6.4446 -6.3851 -6.3780 -6.1305 -6.0912 -6.0697 -6.0560 -6.0118 -5.9952 -5.9381 -5.9016 -5.8840 -5.8094 -5.7886 -5.7806 -5.7449 -5.6988 -5.6872 -5.6634 -5.6487 -5.6364 -5.6052 -5.5913 -5.5799 -5.5389 -5.5320 -5.5236 -5.4538 -5.4409 -5.3955 -5.3600 -5.3341 -5.3239 -5.3080 -5.2901 -5.2848 -5.2750 -5.2712 -5.2609 -5.2547 -5.2461 -5.2342 -5.2136 -5.2000 -5.1864 -5.1720 -5.1713 -5.1653 -5.1520 -5.1360 -5.1303 -5.1106 -5.0962 -5.0686 -5.0618 -5.0515 -5.0431 -5.0305 -5.0139 -4.9980 -4.9933 -4.9821 -4.9725 -4.9598 -4.9408 -4.9099 -4.9036 -4.8926 -4.8877 -4.8714 -4.8573 -4.8372 -4.8182 -4.8107 -4.7990 -4.7889 -4.7833 -4.7735 -4.7573 -4.7478 -4.7420 -4.7325 -4.7229 -4.7141 -4.7013 -4.6847 -4.6729 -4.6673 -4.6249 -4.5905 -4.5840 -4.5728 -4.5639 -4.5543 -4.5418 -4.5296 -4.5158 -4.4877 -4.4701 -4.4617 -4.4598 -4.4544 -4.4415 -4.4263 -4.4214 -4.4150 -4.3939 -4.3902 -4.3827 -4.3776 -4.3638 -4.3603 -4.3478 -4.3410 -4.3339 -4.3263 -4.3131 -4.3059 -4.2832 -4.2605 -4.2439 -4.2385 -4.2340 -4.2321 -4.2246 -4.2185 -4.2143 -4.2066 -4.2027 -4.1981 -4.1941 -4.1894 -4.1818 -4.1771 -4.1718 -4.1634 -4.1586 -4.1523 -4.1493 -4.1393 -4.1344 -4.1324 -4.1271 -4.1247 -4.1158 -4.1099 -4.1053 -4.1033 -4.0944 -4.0798 -4.0710 -4.0688 -4.0585 -4.0545 -4.0516 -4.0455 -4.0435 -4.0394 -4.0357 -4.0269 -4.0227 -4.0201 -4.0166 -4.0077 -3.9962 -3.9802 -3.9713 -3.9669 -3.9473 -3.9401 -3.9367 -3.9316 -3.9279 -3.9171 -3.9057 -3.9027 -3.9010 -3.8964 -3.8874 -3.8747 -3.8632 -3.8577 -3.8533 -3.8492 -3.8307 -3.8183 -3.7925 -3.7755 -3.7721 -3.7522 -3.7488 -3.7471 -3.7400 -3.7320 -3.7230 -3.7097 -3.6824 -3.6769 -3.6720 -3.6580 -3.6539 -3.6488 -3.6414 -3.6362 -3.6256 -3.6168 -3.6124 -3.6110 -3.6023 -3.5995 -3.5918 -3.5863 -3.5782 -3.5713 -3.5643 -3.5599 -3.5537 -3.5429 -3.5317 -3.5197 -3.5107 -3.5008 -3.4953 -3.4882 -3.4833 -3.4642 -3.4539 -3.4416 -3.4283 -3.4168 -3.4139 -3.4112 -3.4079 -3.3999 -3.3963 -3.3896 -3.3739 -3.3644 -3.3598 -3.3484 -3.3443 -3.3380 -3.3283 -3.3180 -3.3130 -3.3027 -3.2966 -3.2948 -3.2888 -3.2802 -3.2750 -3.2700 -3.2622 -3.2580 -3.2528 -3.2370 -3.2328 -3.2266 -3.2236 -3.2123 -3.2094 -3.1997 -3.1869 -3.1837 -3.1742 -3.1587 -3.1528 -3.1471 -3.1429 -3.1399 -3.1366 -3.1313 -3.1224 -3.1156 -3.1089 -3.1053 -3.1025 -3.0975 -3.0759 -3.0711 -3.0623 -3.0556 -3.0522 -3.0434 -3.0396 -3.0362 -3.0345 -3.0262 -3.0195 -3.0174 -3.0127 -3.0069 -3.0057 -3.0012 -2.9972 -2.9946 -2.9865 -2.9800 -2.9774 -2.9687 -2.9616 -2.9587 -2.9529 -2.9475 -2.9449 -2.9425 -2.9385 -2.9351 -2.9285 -2.9236 -2.9135 -2.9070 -2.8985 -2.8906 -2.8864 -2.8747 -2.8716 -2.8687 -2.8646 -2.8575 -2.8490 -2.8235 -2.8100 -2.7967 -2.7654 -2.7521 -2.7294 -2.7025 -2.6911 -2.6792 -2.6486 -2.6308 -2.6107 -2.5832 -2.5545 -2.5186 -2.4700 -2.3492 -2.2943 -2.2588 -2.1783 -2.1509 -2.1079 -2.0437 -1.7714 -1.6289 -1.5880 -1.3979 -1.3176 -1.0511 -1.0452 -0.8233 -0.7615 -0.7423 -0.5957 -0.5116 -0.4684 -0.4259 -0.1155 -0.0375 0.1003 0.1739 0.2892 0.3420 0.6544 0.7236 0.7649 0.8774 0.9476 1.0956 1.1961 1.3300 1.3956 1.4780 1.5587 1.6487 1.6881 1.7420 1.8667 1.9104 1.9271 1.9922 2.2016 2.3264 2.5590 2.6320 3.0018 3.1045 3.1355 3.2174 3.2524 3.2749 3.2856 3.3789 3.4131 3.5673 3.6064 3.6554 3.7603 3.8045 3.8312 3.9881 4.0889 4.1240 4.1666 4.2305 4.2977 4.3641 4.4160 4.4781 4.5771 4.6212 4.7149 4.7198 4.7852 4.8718 4.9151 4.9633 5.0375 5.1452 5.1672 5.2297 5.2460 5.2848 5.3361 5.3550 5.3941 5.4700 5.5076 5.5482 5.5824 5.6341 5.6812 5.7681 5.8665 5.9012 5.9750 6.0745 6.1812 6.2389 6.2663 6.3723 6.4078 6.4809 6.5198 6.5480 6.6404 6.6747 6.7153 6.7883 6.8147 6.8511 6.8774 6.9318 6.9918 7.0076 7.0570 7.1174 7.2263 7.2988 7.3117 7.3778 7.4294 7.4580 7.5525 7.6011 7.6713 7.6822 7.7156 7.7417 7.7867 7.8367 7.8987 7.9431 7.9961 8.0297 8.1048 8.1693 8.2010 8.2287 8.2520 8.2820 8.3496 8.3988 8.4345 8.4637 8.5059 8.5373 8.5845 8.6126 8.6668 8.7246 8.7566 8.8306 8.8881 8.9694 9.0194 9.0630 9.0912 9.1401 9.2073 9.2611 9.3026 9.3506 9.4117 9.4675 9.5026 9.5313 9.5662 9.6342 9.6734 9.7106 9.7462 9.7850 9.8065 9.8490 9.9202 9.9430 9.9955 10.0091 10.0254 10.0954 10.1641 10.1922 10.2263 10.2563 10.2822 10.3116 10.3515 10.3872 10.4490 10.4946 10.5071 10.5542 10.5878 10.6078 10.6509 10.6943 10.7146 -16.5598 -16.5429 -16.4853 -16.4325 -16.3172 -9.2585 -9.2519 -8.8859 -8.1033 -8.0942 -7.8487 -7.7669 -7.2402 -7.2252 -6.9034 -6.7414 -6.7124 -6.5601 -6.5206 -6.4829 -6.4705 -6.4077 -6.3885 -6.3678 -6.1395 -6.1035 -6.0749 -6.0342 -6.0086 -5.9869 -5.9155 -5.9080 -5.8947 -5.8398 -5.8224 -5.7657 -5.7338 -5.7012 -5.6798 -5.6702 -5.6444 -5.6214 -5.6134 -5.5970 -5.5789 -5.5604 -5.5316 -5.4993 -5.4738 -5.4434 -5.4194 -5.3833 -5.3148 -5.2993 -5.2928 -5.2872 -5.2824 -5.2701 -5.2661 -5.2592 -5.2507 -5.2370 -5.2245 -5.2135 -5.2019 -5.1850 -5.1750 -5.1656 -5.1612 -5.1512 -5.1472 -5.1298 -5.1176 -5.1106 -5.0849 -5.0628 -5.0453 -5.0283 -5.0131 -5.0053 -4.9980 -4.9842 -4.9770 -4.9735 -4.9577 -4.9351 -4.9268 -4.9090 -4.9026 -4.8887 -4.8715 -4.8514 -4.8382 -4.8204 -4.8085 -4.7996 -4.7867 -4.7747 -4.7676 -4.7563 -4.7521 -4.7441 -4.7299 -4.7241 -4.7174 -4.7077 -4.6973 -4.6718 -4.6671 -4.6452 -4.6088 -4.5870 -4.5689 -4.5642 -4.5589 -4.5473 -4.5284 -4.5028 -4.4834 -4.4667 -4.4607 -4.4536 -4.4461 -4.4385 -4.4315 -4.4260 -4.4212 -4.4132 -4.3934 -4.3828 -4.3728 -4.3659 -4.3604 -4.3490 -4.3456 -4.3404 -4.3323 -4.3162 -4.3035 -4.2731 -4.2620 -4.2451 -4.2360 -4.2318 -4.2275 -4.2230 -4.2224 -4.2134 -4.2038 -4.1999 -4.1955 -4.1939 -4.1866 -4.1846 -4.1753 -4.1718 -4.1651 -4.1566 -4.1509 -4.1481 -4.1402 -4.1343 -4.1315 -4.1261 -4.1230 -4.1195 -4.1089 -4.1052 -4.0958 -4.0891 -4.0771 -4.0736 -4.0666 -4.0641 -4.0548 -4.0535 -4.0476 -4.0446 -4.0421 -4.0367 -4.0265 -4.0221 -4.0200 -4.0130 -4.0083 -3.9936 -3.9802 -3.9756 -3.9673 -3.9568 -3.9395 -3.9343 -3.9318 -3.9166 -3.9108 -3.9048 -3.9021 -3.8996 -3.8875 -3.8813 -3.8718 -3.8644 -3.8548 -3.8497 -3.8376 -3.8223 -3.8169 -3.7920 -3.7818 -3.7638 -3.7590 -3.7506 -3.7461 -3.7432 -3.7371 -3.7222 -3.7052 -3.6815 -3.6782 -3.6705 -3.6656 -3.6579 -3.6518 -3.6461 -3.6370 -3.6291 -3.6258 -3.6155 -3.6084 -3.6012 -3.5982 -3.5934 -3.5851 -3.5780 -3.5741 -3.5613 -3.5565 -3.5485 -3.5370 -3.5260 -3.5203 -3.5094 -3.5056 -3.5002 -3.4916 -3.4903 -3.4619 -3.4545 -3.4401 -3.4341 -3.4211 -3.4120 -3.4085 -3.4057 -3.4047 -3.3998 -3.3914 -3.3806 -3.3723 -3.3574 -3.3541 -3.3421 -3.3357 -3.3292 -3.3208 -3.3129 -3.3051 -3.2971 -3.2894 -3.2875 -3.2820 -3.2784 -3.2675 -3.2594 -3.2502 -3.2439 -3.2378 -3.2350 -3.2304 -3.2278 -3.2117 -3.2074 -3.1931 -3.1850 -3.1798 -3.1737 -3.1575 -3.1547 -3.1507 -3.1455 -3.1399 -3.1362 -3.1311 -3.1268 -3.1109 -3.1074 -3.1033 -3.0938 -3.0894 -3.0769 -3.0727 -3.0675 -3.0614 -3.0536 -3.0446 -3.0389 -3.0346 -3.0292 -3.0268 -3.0221 -3.0185 -3.0130 -3.0078 -3.0041 -3.0011 -2.9962 -2.9933 -2.9871 -2.9822 -2.9782 -2.9705 -2.9605 -2.9558 -2.9537 -2.9518 -2.9485 -2.9409 -2.9402 -2.9349 -2.9284 -2.9182 -2.9139 -2.9063 -2.8995 -2.8914 -2.8851 -2.8793 -2.8726 -2.8653 -2.8585 -2.8515 -2.8404 -2.8354 -2.8254 -2.8068 -2.7782 -2.7508 -2.7225 -2.7004 -2.6871 -2.6768 -2.6632 -2.6349 -2.6192 -2.5882 -2.5658 -2.4994 -2.4482 -2.3832 -2.2696 -2.2228 -2.1781 -2.1391 -2.1224 -2.0779 -1.7856 -1.6355 -1.5561 -1.4206 -1.2791 -1.0907 -0.9832 -0.8668 -0.7756 -0.6739 -0.5895 -0.5380 -0.4975 -0.4419 -0.0932 -0.0073 0.1635 0.1941 0.2681 0.3662 0.5648 0.7441 0.7630 0.8955 0.9906 1.0993 1.1250 1.2219 1.4224 1.4835 1.5328 1.6310 1.6950 1.7917 1.8218 1.8781 1.9751 2.0800 2.1658 2.2591 2.4818 2.7874 3.0427 3.0558 3.1344 3.2016 3.2488 3.2830 3.3086 3.3662 3.4554 3.5673 3.6028 3.6201 3.7638 3.8095 3.8263 3.9547 4.1046 4.1138 4.1508 4.2406 4.3261 4.3472 4.4221 4.4928 4.6081 4.6583 4.6957 4.7380 4.7868 4.8699 4.9059 4.9802 5.0352 5.0758 5.1478 5.2044 5.2517 5.3098 5.3411 5.3907 5.4286 5.4803 5.5413 5.5709 5.6148 5.6516 5.7134 5.7413 5.7767 5.9108 6.0013 6.0371 6.1298 6.1906 6.3098 6.3473 6.4017 6.4321 6.4745 6.5505 6.6021 6.6539 6.6827 6.7825 6.8083 6.8533 6.9389 6.9768 7.0180 7.0380 7.0880 7.1393 7.2290 7.2876 7.3272 7.3627 7.4194 7.4789 7.5286 7.5911 7.6466 7.6962 7.7302 7.7618 7.8048 7.8450 7.8840 7.9300 7.9717 8.0474 8.1014 8.1549 8.2019 8.2282 8.2692 8.2942 8.3390 8.3794 8.4332 8.4638 8.4848 8.5465 8.5751 8.6173 8.6581 8.6791 8.7789 8.8511 8.8808 8.9497 9.0008 9.0238 9.1029 9.1829 9.2068 9.2682 9.3032 9.3349 9.4237 9.4403 9.4715 9.5321 9.5704 9.6214 9.6557 9.6993 9.7290 9.8007 9.8231 9.8828 9.9152 9.9414 9.9822 10.0335 10.0904 10.1207 10.1689 10.1893 10.2062 10.2423 10.2851 10.3465 10.3858 10.3996 10.4390 10.4859 10.5371 10.5610 10.5981 10.6355 10.6778 10.6897 10.7158 -16.5649 -16.5404 -16.4795 -16.4349 -16.3180 -9.5567 -8.8156 -8.8132 -8.3737 -7.7893 -7.7872 -7.7115 -7.6997 -6.9598 -6.9506 -6.9398 -6.8606 -6.8572 -6.6390 -6.4607 -6.4268 -6.3250 -6.2951 -6.1490 -6.1204 -6.0934 -6.0643 -6.0443 -6.0298 -5.9561 -5.8886 -5.8485 -5.8304 -5.8069 -5.7929 -5.7694 -5.7409 -5.7098 -5.6816 -5.6623 -5.6368 -5.6173 -5.5987 -5.5746 -5.5295 -5.5114 -5.4757 -5.4678 -5.4551 -5.4421 -5.4126 -5.3569 -5.3530 -5.3506 -5.3412 -5.3162 -5.3076 -5.2880 -5.2678 -5.2565 -5.2414 -5.2288 -5.2204 -5.2100 -5.2038 -5.1903 -5.1818 -5.1739 -5.1597 -5.1516 -5.1491 -5.1368 -5.1279 -5.1219 -5.1050 -5.0892 -5.0849 -5.0777 -5.0264 -5.0024 -4.9921 -4.9838 -4.9528 -4.9452 -4.9249 -4.9207 -4.9124 -4.9035 -4.8897 -4.8749 -4.8646 -4.8562 -4.8333 -4.8236 -4.8121 -4.8077 -4.7792 -4.7686 -4.7548 -4.7474 -4.7350 -4.7253 -4.7079 -4.7028 -4.6950 -4.6808 -4.6668 -4.6478 -4.6411 -4.6313 -4.6254 -4.6123 -4.5930 -4.5873 -4.5656 -4.5630 -4.5442 -4.5334 -4.5158 -4.5085 -4.5064 -4.4894 -4.4503 -4.4449 -4.4351 -4.4287 -4.4150 -4.3988 -4.3837 -4.3747 -4.3709 -4.3595 -4.3548 -4.3489 -4.3382 -4.3324 -4.3206 -4.3170 -4.3086 -4.3026 -4.2964 -4.2877 -4.2721 -4.2671 -4.2650 -4.2473 -4.2392 -4.2302 -4.2135 -4.2095 -4.2055 -4.1931 -4.1885 -4.1842 -4.1781 -4.1710 -4.1660 -4.1546 -4.1475 -4.1374 -4.1282 -4.1221 -4.1127 -4.1090 -4.1051 -4.1039 -4.1013 -4.0984 -4.0948 -4.0888 -4.0792 -4.0681 -4.0649 -4.0535 -4.0532 -4.0467 -4.0402 -4.0266 -4.0182 -4.0080 -4.0055 -3.9997 -3.9952 -3.9908 -3.9811 -3.9727 -3.9636 -3.9576 -3.9518 -3.9436 -3.9400 -3.9310 -3.9281 -3.9175 -3.9114 -3.9026 -3.8991 -3.8959 -3.8892 -3.8855 -3.8816 -3.8741 -3.8670 -3.8543 -3.8436 -3.8328 -3.8157 -3.8012 -3.7898 -3.7796 -3.7659 -3.7583 -3.7527 -3.7424 -3.7372 -3.7210 -3.7104 -3.7033 -3.6968 -3.6856 -3.6776 -3.6729 -3.6622 -3.6603 -3.6541 -3.6476 -3.6424 -3.6367 -3.6292 -3.6240 -3.6205 -3.6141 -3.6077 -3.6013 -3.5992 -3.5928 -3.5882 -3.5686 -3.5597 -3.5532 -3.5440 -3.5249 -3.5200 -3.5148 -3.5069 -3.4907 -3.4842 -3.4812 -3.4722 -3.4502 -3.4330 -3.4264 -3.4108 -3.3987 -3.3922 -3.3840 -3.3782 -3.3694 -3.3627 -3.3566 -3.3494 -3.3423 -3.3383 -3.3319 -3.3293 -3.3229 -3.3150 -3.3094 -3.3057 -3.3007 -3.2952 -3.2910 -3.2809 -3.2736 -3.2679 -3.2635 -3.2537 -3.2497 -3.2358 -3.2264 -3.2188 -3.2072 -3.2023 -3.2004 -3.1957 -3.1936 -3.1810 -3.1761 -3.1718 -3.1658 -3.1577 -3.1560 -3.1386 -3.1245 -3.1125 -3.1098 -3.1090 -3.1035 -3.1014 -3.0944 -3.0876 -3.0735 -3.0698 -3.0583 -3.0548 -3.0418 -3.0360 -3.0333 -3.0295 -3.0184 -3.0046 -2.9999 -2.9963 -2.9906 -2.9877 -2.9829 -2.9771 -2.9708 -2.9659 -2.9645 -2.9576 -2.9560 -2.9515 -2.9485 -2.9467 -2.9412 -2.9381 -2.9303 -2.9262 -2.9158 -2.9138 -2.9049 -2.9020 -2.8967 -2.8884 -2.8821 -2.8793 -2.8745 -2.8651 -2.8520 -2.8418 -2.8333 -2.8197 -2.8058 -2.8003 -2.7839 -2.7619 -2.7496 -2.7173 -2.7129 -2.6878 -2.6606 -2.6503 -2.6211 -2.5807 -2.5435 -2.3425 -2.2601 -2.1876 -2.1323 -2.1124 -2.0880 -2.0563 -1.8031 -1.7288 -1.6431 -1.5814 -1.5064 -1.4502 -1.3344 -1.2240 -1.1456 -0.8521 -0.7660 -0.6110 -0.5662 -0.5242 -0.4837 -0.1814 -0.1157 -0.0733 0.0024 0.0855 0.2039 0.2429 0.2990 0.4594 0.4753 0.5492 0.7475 0.8393 1.0654 1.1852 1.2737 1.4327 1.4638 1.5664 1.6874 1.7637 1.8348 1.9977 2.2453 2.3062 2.3696 2.3956 2.5497 2.7263 2.9127 2.9894 3.0233 3.2518 3.3513 3.3641 3.4238 3.4457 3.5301 3.5842 3.6324 3.6659 3.7007 3.7410 3.8231 3.9268 3.9850 4.1094 4.1725 4.2369 4.3993 4.4504 4.4947 4.5398 4.5842 4.6314 4.6977 4.7348 4.8551 4.8603 4.9405 4.9923 5.0568 5.1320 5.1675 5.2430 5.3145 5.3630 5.4200 5.4677 5.5180 5.5922 5.6670 5.6999 5.7528 5.7830 5.8290 5.9038 5.9391 6.0008 6.1096 6.1400 6.2029 6.2266 6.3037 6.3636 6.4332 6.4485 6.4763 6.5019 6.5401 6.5862 6.6616 6.7364 6.7915 6.8649 6.9417 7.0184 7.0687 7.1007 7.1571 7.2262 7.2610 7.3303 7.3981 7.4339 7.4852 7.5327 7.5495 7.5852 7.6320 7.6689 7.7080 7.7550 7.7837 7.8254 7.8721 7.9008 7.9316 7.9646 7.9905 8.0202 8.0774 8.1315 8.1501 8.2111 8.2647 8.2916 8.3365 8.3737 8.4573 8.4839 8.5779 8.6365 8.6688 8.7225 8.7614 8.8478 8.9030 8.9092 8.9761 9.0326 9.0409 9.1138 9.1552 9.2084 9.2253 9.2627 9.3020 9.3606 9.3798 9.4446 9.4834 9.5040 9.5520 9.5837 9.6414 9.6701 9.7034 9.7494 9.7752 9.8229 9.8448 9.8965 9.9299 9.9784 10.0114 10.0348 10.0853 10.1075 10.1820 10.2283 10.2692 10.3035 10.3546 10.3886 10.4399 10.4565 10.5117 10.5349 10.5636 10.6118 10.6516 -16.5725 -16.5200 -16.4789 -16.4551 -16.3112 -9.4808 -9.1067 -8.3933 -8.3834 -8.3041 -7.9648 -7.3458 -7.3326 -7.1424 -7.1303 -6.8849 -6.6983 -6.6348 -6.6190 -6.5940 -6.4357 -6.3798 -6.2858 -6.2379 -6.1852 -6.0981 -6.0908 -6.0715 -5.9812 -5.9209 -5.8971 -5.8718 -5.8370 -5.8118 -5.7948 -5.7612 -5.7356 -5.7121 -5.6941 -5.6829 -5.6483 -5.6131 -5.6093 -5.5930 -5.5399 -5.5298 -5.4927 -5.4601 -5.4207 -5.4124 -5.4000 -5.3475 -5.3395 -5.3239 -5.3207 -5.3053 -5.3026 -5.2929 -5.2881 -5.2706 -5.2628 -5.2564 -5.2433 -5.2359 -5.2212 -5.2083 -5.2061 -5.1938 -5.1810 -5.1475 -5.1390 -5.1118 -5.0968 -5.0892 -5.0741 -5.0640 -5.0585 -5.0507 -5.0388 -5.0290 -5.0230 -5.0004 -4.9770 -4.9498 -4.9418 -4.9237 -4.9212 -4.8852 -4.8706 -4.8591 -4.8455 -4.8391 -4.8124 -4.8031 -4.7953 -4.7916 -4.7853 -4.7761 -4.7664 -4.7597 -4.7484 -4.7293 -4.7228 -4.7117 -4.7027 -4.6887 -4.6809 -4.6681 -4.6579 -4.6321 -4.6057 -4.5966 -4.5922 -4.5815 -4.5704 -4.5649 -4.5557 -4.5406 -4.5295 -4.5145 -4.5079 -4.4916 -4.4826 -4.4483 -4.4430 -4.4133 -4.4083 -4.4002 -4.3852 -4.3757 -4.3737 -4.3618 -4.3544 -4.3423 -4.3367 -4.3284 -4.3138 -4.3046 -4.2945 -4.2905 -4.2831 -4.2733 -4.2635 -4.2521 -4.2430 -4.2351 -4.2241 -4.2159 -4.2085 -4.1981 -4.1923 -4.1808 -4.1739 -4.1718 -4.1631 -4.1598 -4.1464 -4.1376 -4.1340 -4.1271 -4.1215 -4.1169 -4.1141 -4.1072 -4.1035 -4.0975 -4.0897 -4.0852 -4.0802 -4.0755 -4.0701 -4.0678 -4.0583 -4.0558 -4.0507 -4.0453 -4.0406 -4.0381 -4.0336 -4.0231 -4.0204 -4.0167 -4.0132 -4.0076 -4.0015 -3.9893 -3.9852 -3.9808 -3.9752 -3.9711 -3.9588 -3.9470 -3.9358 -3.9272 -3.9232 -3.9177 -3.9103 -3.9033 -3.8965 -3.8862 -3.8771 -3.8683 -3.8588 -3.8426 -3.8336 -3.8183 -3.8139 -3.8028 -3.7957 -3.7925 -3.7856 -3.7703 -3.7617 -3.7493 -3.7383 -3.7276 -3.7228 -3.7176 -3.6954 -3.6846 -3.6793 -3.6692 -3.6604 -3.6525 -3.6450 -3.6434 -3.6383 -3.6348 -3.6326 -3.6287 -3.6191 -3.6083 -3.6041 -3.5933 -3.5832 -3.5766 -3.5699 -3.5554 -3.5479 -3.5326 -3.5186 -3.5116 -3.5079 -3.5030 -3.4944 -3.4866 -3.4783 -3.4631 -3.4500 -3.4403 -3.4230 -3.4212 -3.4094 -3.4015 -3.3951 -3.3870 -3.3798 -3.3772 -3.3680 -3.3611 -3.3481 -3.3457 -3.3420 -3.3392 -3.3335 -3.3257 -3.3203 -3.3111 -3.3016 -3.2977 -3.2917 -3.2780 -3.2708 -3.2614 -3.2536 -3.2496 -3.2392 -3.2313 -3.2283 -3.2165 -3.2077 -3.2007 -3.1952 -3.1929 -3.1882 -3.1801 -3.1744 -3.1608 -3.1554 -3.1528 -3.1422 -3.1403 -3.1358 -3.1231 -3.1078 -3.1049 -3.0945 -3.0888 -3.0861 -3.0778 -3.0725 -3.0677 -3.0613 -3.0485 -3.0434 -3.0351 -3.0288 -3.0228 -3.0197 -3.0145 -3.0090 -3.0079 -3.0019 -3.0002 -2.9952 -2.9919 -2.9843 -2.9764 -2.9699 -2.9658 -2.9637 -2.9602 -2.9494 -2.9450 -2.9401 -2.9376 -2.9341 -2.9316 -2.9269 -2.9216 -2.9172 -2.9117 -2.9061 -2.8967 -2.8949 -2.8879 -2.8838 -2.8781 -2.8635 -2.8579 -2.8478 -2.8329 -2.8210 -2.8157 -2.8058 -2.7937 -2.7520 -2.7383 -2.7314 -2.7217 -2.6873 -2.6745 -2.6697 -2.6219 -2.6004 -2.5665 -2.5179 -2.4944 -2.3786 -2.2310 -2.2226 -2.0939 -2.0048 -1.9006 -1.4875 -1.4647 -1.4391 -1.4123 -1.3575 -1.3148 -1.2367 -1.0577 -0.9318 -0.9053 -0.7944 -0.6935 -0.6695 -0.6438 -0.5889 -0.3928 -0.0971 -0.0508 0.2914 0.4856 0.5278 0.5434 0.6475 0.6514 0.7929 0.8803 1.0958 1.2329 1.3048 1.3433 1.4163 1.4629 1.4948 1.5995 1.6765 1.8485 1.9691 2.0605 2.1708 2.2585 2.3862 2.4463 2.6969 2.7341 3.0505 3.1459 3.1766 3.2642 3.3387 3.3731 3.4658 3.5466 3.5716 3.6252 3.7025 3.7447 3.7892 3.8604 3.9166 3.9916 4.0550 4.1163 4.1778 4.3190 4.3573 4.4371 4.5054 4.5588 4.6478 4.7337 4.7743 4.8297 4.8746 4.9453 4.9824 5.0219 5.1140 5.1741 5.2144 5.2692 5.3688 5.4316 5.4584 5.5602 5.5838 5.6104 5.6710 5.6983 5.7833 5.8271 5.8960 5.9618 6.0154 6.0744 6.1227 6.1916 6.2347 6.2863 6.3777 6.4160 6.4351 6.5068 6.5814 6.6200 6.6493 6.6997 6.7556 6.7964 6.8340 6.9222 6.9625 7.0225 7.0630 7.0869 7.1534 7.2364 7.2779 7.2920 7.3816 7.4369 7.4605 7.5006 7.5572 7.6038 7.6729 7.6754 7.7393 7.8153 7.8321 7.8843 7.9323 8.0157 8.0501 8.0866 8.1204 8.2101 8.2224 8.2630 8.2861 8.3361 8.3694 8.4011 8.4273 8.4755 8.5386 8.5704 8.6334 8.6707 8.7031 8.7538 8.8054 8.8369 8.8581 8.9298 8.9805 9.0277 9.0437 9.1426 9.1836 9.2258 9.2615 9.2969 9.3432 9.3686 9.4008 9.4400 9.4955 9.5328 9.6029 9.6249 9.7200 9.7414 9.7993 9.8400 9.8815 9.9340 9.9624 9.9988 10.0319 10.0649 10.0921 10.1302 10.1723 10.2103 10.2412 10.2940 10.3256 10.3746 10.4230 10.4702 10.5126 10.5537 10.5760 10.5942 10.6460 10.6956 -16.5670 -16.5232 -16.4924 -16.4434 -16.3117 -9.2566 -9.2536 -8.8861 -8.1014 -8.0952 -7.8488 -7.7675 -7.2341 -7.2319 -6.9038 -6.7358 -6.7181 -6.5399 -6.5310 -6.4955 -6.4478 -6.4369 -6.3852 -6.3660 -6.1332 -6.1014 -6.0703 -6.0507 -6.0175 -5.9859 -5.9170 -5.9086 -5.8813 -5.8471 -5.8195 -5.7536 -5.7345 -5.6953 -5.6805 -5.6644 -5.6447 -5.6337 -5.6090 -5.5888 -5.5736 -5.5606 -5.5395 -5.5264 -5.4573 -5.4412 -5.4115 -5.3599 -5.3360 -5.3088 -5.2938 -5.2884 -5.2801 -5.2750 -5.2716 -5.2578 -5.2547 -5.2483 -5.2275 -5.2206 -5.1970 -5.1938 -5.1742 -5.1669 -5.1545 -5.1461 -5.1378 -5.1337 -5.1138 -5.1023 -5.0839 -5.0738 -5.0445 -5.0364 -5.0132 -5.0066 -4.9903 -4.9848 -4.9767 -4.9719 -4.9518 -4.9459 -4.9312 -4.9100 -4.8910 -4.8788 -4.8683 -4.8521 -4.8312 -4.8262 -4.8147 -4.7999 -4.7840 -4.7814 -4.7740 -4.7643 -4.7540 -4.7451 -4.7270 -4.7231 -4.7119 -4.7007 -4.6974 -4.6735 -4.6611 -4.6545 -4.5930 -4.5835 -4.5716 -4.5634 -4.5528 -4.5348 -4.5290 -4.5082 -4.4852 -4.4712 -4.4628 -4.4609 -4.4505 -4.4415 -4.4313 -4.4235 -4.4182 -4.4093 -4.3950 -4.3857 -4.3691 -4.3664 -4.3542 -4.3474 -4.3430 -4.3365 -4.3317 -4.3190 -4.3026 -4.2704 -4.2588 -4.2505 -4.2399 -4.2316 -4.2285 -4.2241 -4.2180 -4.2142 -4.2075 -4.2047 -4.1951 -4.1914 -4.1865 -4.1813 -4.1742 -4.1711 -4.1673 -4.1549 -4.1497 -4.1470 -4.1419 -4.1342 -4.1272 -4.1250 -4.1212 -4.1140 -4.1109 -4.1052 -4.0976 -4.0945 -4.0809 -4.0759 -4.0661 -4.0605 -4.0536 -4.0494 -4.0469 -4.0432 -4.0396 -4.0371 -4.0297 -4.0226 -4.0221 -4.0131 -4.0113 -3.9998 -3.9841 -3.9756 -3.9654 -3.9459 -3.9402 -3.9360 -3.9321 -3.9278 -3.9162 -3.9066 -3.9022 -3.8985 -3.8931 -3.8776 -3.8733 -3.8643 -3.8537 -3.8494 -3.8320 -3.8204 -3.8099 -3.7906 -3.7848 -3.7592 -3.7517 -3.7475 -3.7457 -3.7414 -3.7341 -3.7207 -3.7086 -3.6884 -3.6770 -3.6723 -3.6663 -3.6594 -3.6496 -3.6421 -3.6379 -3.6331 -3.6244 -3.6162 -3.6051 -3.6022 -3.5965 -3.5922 -3.5899 -3.5790 -3.5741 -3.5628 -3.5597 -3.5497 -3.5393 -3.5317 -3.5228 -3.5146 -3.5074 -3.5045 -3.4922 -3.4816 -3.4686 -3.4538 -3.4367 -3.4297 -3.4166 -3.4156 -3.4118 -3.4048 -3.4026 -3.3957 -3.3913 -3.3828 -3.3743 -3.3581 -3.3488 -3.3430 -3.3344 -3.3313 -3.3203 -3.3136 -3.3040 -3.2993 -3.2911 -3.2867 -3.2793 -3.2748 -3.2672 -3.2603 -3.2538 -3.2449 -3.2366 -3.2333 -3.2276 -3.2202 -3.2101 -3.2062 -3.1959 -3.1909 -3.1818 -3.1725 -3.1538 -3.1503 -3.1480 -3.1443 -3.1394 -3.1382 -3.1335 -3.1241 -3.1140 -3.1096 -3.1056 -3.0989 -3.0874 -3.0824 -3.0731 -3.0638 -3.0544 -3.0528 -3.0477 -3.0381 -3.0365 -3.0293 -3.0264 -3.0201 -3.0163 -3.0129 -3.0086 -3.0027 -2.9998 -2.9962 -2.9934 -2.9851 -2.9813 -2.9804 -2.9686 -2.9634 -2.9586 -2.9531 -2.9497 -2.9466 -2.9425 -2.9386 -2.9334 -2.9273 -2.9216 -2.9152 -2.9073 -2.9005 -2.8993 -2.8836 -2.8779 -2.8694 -2.8641 -2.8615 -2.8488 -2.8433 -2.8274 -2.8191 -2.8094 -2.7651 -2.7462 -2.7281 -2.7194 -2.7041 -2.6834 -2.6536 -2.6417 -2.6082 -2.5925 -2.5671 -2.4881 -2.4549 -2.3767 -2.2837 -2.2327 -2.1875 -2.1388 -2.1072 -2.0651 -1.7945 -1.6248 -1.5897 -1.3351 -1.3280 -1.0715 -1.0214 -0.8144 -0.8016 -0.7153 -0.5966 -0.5553 -0.4799 -0.4161 -0.0626 -0.0245 0.1344 0.1990 0.2721 0.3423 0.5989 0.7195 0.8141 0.8747 0.9647 1.0576 1.1641 1.3061 1.4163 1.4763 1.5505 1.6041 1.6816 1.7575 1.8526 1.8898 1.9612 2.0617 2.1282 2.3183 2.5758 2.6930 3.0208 3.0911 3.1275 3.2138 3.2584 3.2811 3.3061 3.3349 3.4234 3.5278 3.5704 3.6879 3.7541 3.8019 3.8201 4.0419 4.0684 4.1094 4.1490 4.2246 4.3037 4.3406 4.3983 4.4507 4.5999 4.6785 4.6885 4.7260 4.8173 4.8506 4.9071 5.0063 5.0240 5.0957 5.1700 5.2034 5.2699 5.3118 5.3399 5.3728 5.4275 5.5118 5.5263 5.5589 5.6038 5.6247 5.7040 5.7810 5.8270 5.8887 5.9880 6.1256 6.1599 6.2079 6.2801 6.3174 6.4007 6.4186 6.4954 6.5400 6.6029 6.6780 6.6981 6.7905 6.8182 6.8433 6.9045 6.9598 7.0061 7.0447 7.0837 7.1586 7.2213 7.2828 7.3292 7.3897 7.4271 7.4504 7.4978 7.6035 7.6372 7.6836 7.7238 7.7403 7.7834 7.8298 7.8992 7.9350 7.9830 8.0241 8.1269 8.1472 8.1875 8.2404 8.2688 8.2986 8.3462 8.3867 8.4358 8.4732 8.5122 8.5419 8.5852 8.6316 8.7303 8.7413 8.7727 8.8388 8.8965 8.9555 9.0058 9.0476 9.1259 9.1643 9.1859 9.2741 9.3177 9.3408 9.3926 9.4231 9.4646 9.5044 9.5617 9.5933 9.6190 9.6642 9.7101 9.7531 9.8156 9.8397 9.9115 9.9508 9.9973 10.0335 10.0609 10.1050 10.1404 10.1825 10.2112 10.2555 10.3053 10.3387 10.3624 10.4072 10.4301 10.4565 10.5132 10.5487 10.5926 10.6380 10.6718 10.7172 10.7351</array>
                     <array dataType="xsd:double" dictRef="cc:occup" size="7280">1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00003 1.00046 1.00115 1.00187 1.00516 0.97659 0.96962 0.96126 0.94186 0.93170 0.87463 0.48247 0.30512 0.22092 -0.00533 -0.00075 -0.00024 -0.00015 -0.00004 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00005 1.00021 1.00279 1.00606 1.02078 1.02698 1.03441 0.97566 0.90188 0.87784 0.55130 0.28675 -0.03546 -0.00111 -0.00021 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00002 1.00009 1.00478 1.00601 1.01336 1.02987 1.02872 0.98469 0.92125 0.86380 0.45455 0.32384 -0.01802 -0.00038 -0.00011 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00001 1.00014 1.03461 0.99475 0.96118 0.90179 0.84956 0.41606 0.13564 -0.03360 -0.02907 -0.00686 -0.00069 -0.00017 -0.00007 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00001 1.00004 1.02865 0.97451 0.92754 0.82116 0.77524 0.61102 0.26383 -0.03514 -0.01468 -0.00382 -0.00074 -0.00014 -0.00006 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00001 1.00025 1.00397 1.00776 1.01769 1.03075 1.03424 1.01608 0.92731 0.83427 0.43558 0.38667 -0.03004 -0.00026 -0.00017 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00031 1.00682 1.02508 1.03227 1.00768 0.87848 0.82751 0.17801 0.06312 -0.00543 -0.00020 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00082 1.00195 1.02776 1.03010 1.03545 0.80796 0.52133 0.26801 0.04542 -0.00303 -0.00040 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00224 1.02151 1.03066 0.85837 0.56508 -0.03532 -0.03495 -0.00183 -0.00045 -0.00027 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00166 1.02002 1.03517 0.91665 0.40342 -0.03010 -0.02332 -0.00434 -0.00063 -0.00004 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00113 1.00508 1.01833 1.03191 1.02720 0.97320 0.63447 0.19570 0.01459 -0.00328 -0.00050 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00010 1.01575 0.99329 0.95454 0.89666 0.72475 0.55356 0.23904 -0.03546 -0.01252 -0.00841 -0.00097 -0.00007 -0.00004 -0.00002 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00137 1.02244 1.03031 0.63767 0.60835 -0.03458 -0.03164 -0.00152 -0.00115 -0.00013 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000</array>
                  </list>
               </module>
               <module cmlx:templateRef="forces" id="forces">
                  <matrix cols="207"
                          dataType="xsd:double"
                          dictRef="cc:force"
                          rows="114"
                          units="nonsi2:ev.angstrom-1">0.000866 -0.002373 0.071031 -0.002656 -0.002867 0.092710 0.007442 -0.003477 0.070164 -0.004500 0.000126 0.078119 -0.007165 -0.001863 -0.069318 0.013427 -0.015165 -0.119814 0.003157 0.003822 -0.048038 0.000138 -0.014553 -0.120398 -0.002459 0.000857 -0.010703 -0.005059 0.030292 0.042912 -0.006474 -0.013599 0.050027 -0.029078 -0.035533 -0.004728 0.025019 -0.063457 0.113421 -0.010574 0.005171 0.175892 0.141588 -0.026266 0.268896 0.017038 -0.001831 -0.216685 0.007627 -0.005374 0.070954 -0.005838 -0.013431 0.103861 -0.015187 -0.005261 0.068817 -0.004367 -0.001828 0.070597 0.005401 0.001533 -0.077884 0.019952 -0.006758 -0.142802 0.005836 -0.000056 -0.059102 0.002382 -0.010567 -0.143058 -0.019348 0.026309 0.034853 -0.004315 0.057969 0.019683 0.027629 -0.013886 0.006975 -0.041285 -0.013859 0.005235 0.027636 0.020447 0.227917 -0.055695 0.020869 0.219258 -0.048448 -0.058381 0.817097 0.007753 -0.005563 -0.050685 -0.014891 -0.003454 0.069015 -0.007323 -0.002934 0.092786 -0.008243 -0.002261 0.070198 -0.004146 0.002752 0.076997 0.016838 -0.001933 -0.068780 0.006734 -0.012882 -0.151034 0.004371 0.001459 -0.061237 0.010256 -0.012313 -0.150655 -0.002236 -0.002578 -0.015555 -0.005818 0.030702 0.043468 0.017553 -0.035129 -0.004060 -0.013465 -0.013862 0.050348 -0.011402 0.004219 0.176985 -0.039022 -0.062858 0.109332 -0.171632 -0.026418 0.249240 0.004353 -0.005850 -0.044218 -0.001555 -0.006887 0.071708 -0.006026 0.006071 0.104430 -0.005964 -0.006979 0.070894 -0.003010 -0.002070 0.070659 0.005479 -0.001224 -0.075532 0.014258 -0.010931 -0.142743 0.001922 0.000015 -0.059181 -0.003793 -0.006586 -0.143815 0.009170 0.025770 0.037323 -0.005378 0.024212 0.038100 0.028535 -0.013703 0.009862 -0.042348 -0.013700 0.007893 -0.011870 0.096209 0.153124 -0.007236 0.096262 0.149573 -0.048059 -0.061746 0.811299 0.009351 -0.005661 -0.050592 0.281247 0.168478 -0.329838 0.081347 0.065793 -1.213134 -0.210450 0.169260 -0.366125 0.001081 -0.324807 0.075533 0.080929 0.094120 -1.207473 0.001380 -0.002435 0.071160 -0.002274 -0.002971 0.093010 0.007924 -0.003550 0.070299 -0.004102 0.000058 0.078468 -0.007443 -0.002166 -0.068571 0.013720 -0.015134 -0.117850 0.003483 0.003975 -0.047496 0.000428 -0.014494 -0.118448 -0.002776 -0.004883 0.001068 -0.004025 0.027468 0.043571 -0.004416 -0.012505 0.053091 -0.029101 -0.032838 -0.003917 0.023380 -0.060662 0.106776 -0.007776 0.002660 0.167920 0.135023 -0.023467 0.257127 0.017097 -0.002077 -0.209004 0.008227 -0.005579 0.071124 -0.005450 -0.013629 0.104262 -0.014973 -0.005469 0.068952 -0.003903 -0.001852 0.070784 0.005780 0.001483 -0.077794 0.020733 -0.006806 -0.141468 0.006068 -0.000260 -0.057845 0.002180 -0.010672 -0.141882 -0.017252 0.024138 0.041751 -0.004114 0.055567 0.021771 0.029480 -0.010968 0.017391 -0.043851 -0.011215 0.014147 0.026520 0.017770 0.215768 -0.051640 0.018541 0.209408 -0.046190 -0.054704 0.779030 0.008093 -0.004624 -0.054233 -0.014554 -0.003522 0.069142 -0.006901 -0.003036 0.093094 -0.007934 -0.002330 0.070319 -0.003740 0.002718 0.077281 0.017777 -0.002238 -0.067954 0.006983 -0.013231 -0.148838 0.004651 0.001780 -0.059642 0.010546 -0.012662 -0.148467 -0.002639 -0.007802 -0.001817 -0.006303 0.027832 0.043963 0.017873 -0.032796 -0.002206 -0.014350 -0.012490 0.052042 -0.011076 0.001429 0.167892 -0.036384 -0.059772 0.103739 -0.163204 -0.024043 0.239118 0.004557 -0.005303 -0.043296 -0.001067 -0.007051 0.071869 -0.005637 0.005971 0.104845 -0.005631 -0.007143 0.071034 -0.002640 -0.002096 0.070846 0.005829 -0.001498 -0.074997 0.015119 -0.011038 -0.141440 0.002260 -0.000183 -0.057938 -0.003922 -0.006627 -0.142578 0.007774 0.023600 0.044073 -0.005126 0.023060 0.040713 0.030669 -0.009521 0.018277 -0.044960 -0.009766 0.014789 -0.011610 0.087734 0.145154 -0.004382 0.087990 0.142840 -0.045828 -0.056141 0.773734 0.009265 -0.005246 -0.054021 0.259698 0.178286 -0.316421 0.063403 0.067749 -1.193484 -0.187180 0.165814 -0.372048 0.005610 -0.323633 0.080118 0.062824 0.096503 -1.188105 0.001333 -0.003004 0.071360 -0.002706 -0.003664 0.093768 0.007788 -0.004164 0.070542 -0.004489 -0.000550 0.079357 -0.009858 -0.003478 -0.066693 0.013031 -0.015436 -0.112309 0.002903 0.004114 -0.046277 -0.000258 -0.014700 -0.112950 -0.005191 -0.021071 0.034345 -0.003095 0.020404 0.045653 0.001223 -0.007886 0.060446 -0.030100 -0.028072 0.000008 0.017076 -0.049800 0.086650 -0.003206 -0.002088 0.141809 0.114292 -0.016357 0.218705 0.017467 -0.002903 -0.186267 0.008421 -0.006585 0.071421 -0.005840 -0.014610 0.105326 -0.015861 -0.006479 0.069180 -0.004093 -0.002326 0.071100 0.005370 0.000933 -0.077817 0.021508 -0.007330 -0.137779 0.005190 -0.001311 -0.054537 -0.000015 -0.011367 -0.138666 -0.014202 0.018933 0.063155 -0.005279 0.049220 0.027714 0.035060 -0.003773 0.047319 -0.050976 -0.002406 0.041856 0.018210 0.011866 0.181863 -0.041163 0.014225 0.177446 -0.038741 -0.043046 0.650810 0.008407 -0.001384 -0.065461 -0.015096 -0.004133 0.069343 -0.007186 -0.003735 0.093805 -0.008570 -0.002908 0.070487 -0.004097 0.002208 0.077970 0.019050 -0.003554 -0.065830 0.006171 -0.014692 -0.142578 0.003932 0.002420 -0.055249 0.009842 -0.014120 -0.142233 -0.005296 -0.022472 0.037250 -0.009883 0.020633 0.045569 0.020059 -0.028918 0.003156 -0.018222 -0.008097 0.059023 -0.015025 -0.004877 0.140643 -0.028902 -0.049565 0.084370 -0.136458 -0.014019 0.204652 0.004236 -0.003772 -0.040259 -0.001198 -0.007912 0.072166 -0.006024 0.005230 0.105903 -0.006194 -0.008001 0.071287 -0.003105 -0.002568 0.071154 0.005324 -0.002750 -0.073679 0.016154 -0.011737 -0.137866 0.001723 -0.001219 -0.054659 -0.005879 -0.007124 -0.139152 0.001291 0.017968 0.064493 -0.006786 0.019201 0.048301 0.037028 0.000791 0.042214 -0.051836 0.002968 0.036222 -0.016410 0.063171 0.120281 0.000965 0.063398 0.118629 -0.038627 -0.039187 0.647685 0.009595 -0.001887 -0.065807 0.247002 0.165987 -0.306283 0.070103 0.074928 -1.091106 -0.190196 0.161863 -0.353376 0.010877 -0.286794 0.061615 0.069434 0.097370 -1.089214 0.002323 -0.002284 0.069870 -0.002346 -0.003088 0.093015 0.008729 -0.003494 0.069202 -0.004042 0.000149 0.079382 -0.013423 -0.004169 -0.065105 0.012888 -0.014110 -0.103461 0.003024 0.006599 -0.046232 -0.000347 -0.013198 -0.104190 -0.008316 -0.045581 0.091514 0.002174 0.007874 0.045334 0.011807 0.001136 0.071726 -0.033671 -0.018729 0.006339 0.009320 -0.027470 0.047180 0.006271 -0.012874 0.085328 0.073596 0.002522 0.143656 0.011612 -0.002775 -0.139008 0.009925 -0.006584 0.070099 -0.005407 -0.014438 0.105445 -0.016211 -0.006474 0.067755 -0.003258 -0.001403 0.069831 0.005796 0.001860 -0.079671 0.024252 -0.006399 -0.132251 0.004660 -0.001654 -0.050396 -0.003211 -0.010784 -0.134270 -0.007491 0.009329 0.100447 -0.004891 0.035116 0.037112 0.042576 0.008435 0.097960 -0.061699 0.009833 0.088615 0.002339 -0.001075 0.105487 -0.016029 0.000406 0.103336 -0.015790 0.011134 0.288878 0.011025 0.006991 -0.094935 -0.014894 -0.003465 0.067989 -0.006453 -0.003131 0.093097 -0.008428 -0.002187 0.068997 -0.003591 0.003090 0.077567 0.022875 -0.004246 -0.063720 0.005848 -0.015757 -0.132104 0.003765 0.005849 -0.048726 0.009642 -0.015186 -0.131812 -0.008449 -0.043695 0.105402 -0.013226 0.007839 0.044321 0.025833 -0.019569 0.011879 -0.024881 0.001116 0.067932 -0.017885 -0.013326 0.082094 -0.013580 -0.026644 0.046998 -0.084091 0.006512 0.133581 0.005586 0.002032 -0.033291 -0.000244 -0.007640 0.070878 -0.005578 0.005575 0.106022 -0.006021 -0.007714 0.069964 -0.002788 -0.001640 0.069868 0.005561 -0.003308 -0.072786 0.019539 -0.011157 -0.132699 0.002000 -0.001534 -0.050580 -0.008485 -0.006146 -0.134200 -0.009772 0.007815 0.101014 -0.006580 0.014695 0.060641 0.046779 0.020617 0.081323 -0.063552 0.022186 0.072040 -0.023937 0.016194 0.063785 0.014820 0.015422 0.064725 -0.015794 0.025745 0.290361 0.010916 0.006817 -0.095249 0.232345 0.136088 -0.274564 0.033495 0.030698 -0.720182 -0.185743 0.144025 -0.306902 0.003460 -0.237913 0.076123 0.035321 0.047142 -0.717781 0.001450 -0.001968 0.068944 -0.003303 -0.002011 0.092203 0.008825 -0.003042 0.068373 -0.004800 0.000708 0.081388 -0.021705 -0.006191 -0.061050 0.010744 -0.012245 -0.085534 0.001782 0.011752 -0.046807 -0.001822 -0.011012 -0.086321 -0.013582 -0.074177 0.181713 0.008250 -0.017269 0.050269 0.026567 0.016314 0.094235 -0.042454 0.001601 0.017059 -0.007437 0.019117 -0.037928 0.025791 -0.022783 -0.024257 -0.003648 0.039661 -0.013064 0.001728 0.003581 -0.046648 0.010009 -0.006446 0.069155 -0.006081 -0.013634 0.106778 -0.017359 -0.006281 0.066732 -0.003520 -0.000702 0.069599 0.004944 0.003567 -0.080906 0.027818 -0.004943 -0.119293 0.001973 -0.003591 -0.043076 -0.011338 -0.009841 -0.123874 0.003549 -0.013075 0.173235 -0.004790 0.012700 0.053407 0.039422 0.026969 0.169858 -0.064247 0.029348 0.158328 -0.032577 -0.027408 -0.043196 0.037649 -0.023140 -0.038102 0.094510 0.229677 -1.354884 0.010513 0.022667 -0.157789 -0.016043 -0.003069 0.067093 -0.006423 -0.002069 0.092310 -0.008615 -0.001865 0.068219 -0.004357 0.003880 0.079764 0.028417 -0.006275 -0.058615 0.003927 -0.018692 -0.109987 0.001896 0.012978 -0.035843 0.007311 -0.018104 -0.109794 -0.015650 -0.066661 0.217161 -0.022072 -0.017754 0.047592 0.032567 0.002024 0.027389 -0.040789 0.016194 0.086607 -0.024492 -0.023695 -0.029636 0.014103 0.023443 -0.033638 0.018429 0.046777 -0.013424 0.001591 0.009843 0.003817 -0.000350 -0.007062 0.070378 -0.006218 0.005197 0.107429 -0.007062 -0.007076 0.069387 -0.003682 -0.000913 0.069634 0.004328 -0.004914 -0.068493 0.024735 -0.010209 -0.120789 0.001178 -0.003379 -0.043383 -0.015141 -0.004583 -0.122330 -0.032706 -0.014694 0.169691 -0.009562 -0.000726 0.083301 0.047363 0.050779 0.133924 -0.068071 0.053868 0.120978 -0.045368 -0.080991 -0.044270 0.043009 -0.080384 -0.037977 0.091863 0.256611 -1.335656 0.011174 0.021928 -0.157859 0.305333 0.103485 -0.186749 -0.065437 -0.169844 1.002180 -0.263929 0.092897 -0.225774 0.006353 -0.153836 0.086903 -0.064475 -0.161009 0.971916 0.001782 -0.001303 0.069782 -0.003121 -0.002001 0.093193 0.008427 -0.002509 0.069187 -0.004734 0.001172 0.080483 -0.017283 -0.004210 -0.063058 0.011667 -0.012565 -0.095658 0.002114 0.009335 -0.045781 -0.001381 -0.011511 -0.096421 -0.010642 -0.059709 0.132525 0.003787 -0.001210 0.047753 0.018315 0.007613 0.082228 -0.038123 -0.009225 0.011940 0.001439 -0.009659 0.013595 0.016433 -0.016425 0.040945 0.039738 0.014644 0.083071 0.006832 0.001662 -0.099466 0.009820 -0.005925 0.070011 -0.006090 -0.013557 0.106463 -0.017288 -0.005793 0.067605 -0.003697 -0.000280 0.069972 0.005093 0.003210 -0.079997 0.025363 -0.005091 -0.126698 0.003171 -0.001601 -0.046668 -0.006900 -0.009720 -0.129745 -0.003485 0.000300 0.130628 -0.005784 0.028063 0.044538 0.044435 0.017285 0.131995 -0.065992 0.019180 0.120514 -0.011690 -0.008173 0.043045 0.004887 -0.008376 0.046975 0.018088 0.074894 -0.187846 0.010924 0.013748 -0.118601 -0.015755 -0.002493 0.067953 -0.006849 -0.002033 0.093293 -0.009071 -0.001217 0.068922 -0.004260 0.004238 0.078572 0.024845 -0.004302 -0.061248 0.004626 -0.016198 -0.122718 0.002601 0.009366 -0.042850 0.008363 -0.015611 -0.122460 -0.012060 -0.055149 0.155775 -0.018093 -0.001444 0.046008 0.028620 -0.009622 0.019682 -0.031997 0.007595 0.077112 -0.021171 -0.018833 0.037320 -0.003214 -0.006988 0.015826 -0.043362 0.022249 0.075935 0.004673 0.006724 -0.021867 -0.000581 -0.006782 0.070975 -0.006239 0.006203 0.107022 -0.006884 -0.006837 0.070025 -0.003553 -0.000513 0.070005 0.004704 -0.003257 -0.070864 0.021282 -0.010100 -0.127553 0.001255 -0.001444 -0.046910 -0.011606 -0.004789 -0.129085 -0.019952 0.000211 0.128871 -0.008204 0.008960 0.070112 0.049757 0.034791 0.106941 -0.067885 0.037016 0.094449 -0.030522 -0.023218 0.020522 0.025706 -0.021988 0.024706 0.017812 0.095268 -0.181926 0.011871 0.013583 -0.118661 0.235825 0.120645 -0.256473 0.016664 -0.035945 -0.231984 -0.198010 0.117114 -0.276745 -0.000346 -0.215953 0.089911 0.024905 -0.021508 -0.245102 0.002088 -0.001382 0.069077 -0.002830 -0.001990 0.092529 0.008862 -0.002571 0.068481 -0.004415 0.001127 0.080193 -0.017984 -0.004610 -0.063066 0.011793 -0.012435 -0.093794 0.002366 0.009894 -0.046401 -0.001158 -0.011343 -0.094563 -0.011074 -0.063765 0.144129 0.005227 -0.004857 0.047622 0.020634 0.009204 0.085101 -0.038635 -0.006645 0.012501 0.000712 -0.003654 0.001869 0.019375 -0.018451 0.025618 0.031196 0.019839 0.062253 0.005911 0.001986 -0.088081 0.010261 -0.006040 0.069294 -0.005761 -0.013572 0.106062 -0.017042 -0.005904 0.066884 -0.003313 -0.000310 0.069354 0.005391 0.003315 -0.080722 0.026260 -0.005025 -0.125499 0.003226 -0.001985 -0.046210 -0.007578 -0.009728 -0.128886 -0.001356 -0.002802 0.140161 -0.005921 0.024080 0.045799 0.043096 0.020476 0.140987 -0.065391 0.022497 0.129120 -0.016054 -0.012040 0.023930 0.011809 -0.011683 0.028131 0.028851 0.101820 -0.401041 0.010500 0.016131 -0.127852 -0.015494 -0.002564 0.067244 -0.006420 -0.002022 0.092615 -0.008676 -0.001295 0.068233 -0.003943 0.004222 0.078280 0.026014 -0.004694 -0.061112 0.004787 -0.016724 -0.120281 0.002766 0.010193 -0.041644 0.008467 -0.016133 -0.120043 -0.012609 -0.058520 0.170157 -0.018679 -0.005146 0.045659 0.029613 -0.007009 0.020756 -0.033857 0.009187 0.079596 -0.021297 -0.021105 0.021178 0.000717 -0.000744 0.003499 -0.029782 0.025882 0.055198 0.004683 0.007251 -0.017279 -0.000163 -0.006836 0.070314 -0.005913 0.006032 0.106649 -0.006611 -0.006885 0.069355 -0.003258 -0.000537 0.069392 0.004949 -0.003596 -0.070843 0.022403 -0.010103 -0.126502 0.001562 -0.001811 -0.046473 -0.012081 -0.004712 -0.128030 -0.022471 -0.002307 0.138205 -0.008516 0.007144 0.072344 0.049131 0.039241 0.113703 -0.068081 0.041780 0.101202 -0.033080 -0.035445 0.006724 0.029875 -0.035363 0.010055 0.028572 0.124427 -0.392653 0.011455 0.015941 -0.127919 0.247644 0.121665 -0.235531 0.000599 -0.061737 -0.000538 -0.210968 0.108897 -0.267678 0.003345 -0.208198 0.091249 -0.003730 -0.037951 -0.008060 0.001701 -0.001689 0.069488 -0.003494 -0.002012 0.093141 0.008158 -0.002857 0.068833 -0.004927 0.000922 0.080968 -0.021568 -0.006095 -0.057784 0.008391 -0.009837 -0.082699 0.001089 0.004356 -0.034157 -0.000202 -0.008827 -0.082950 -0.010651 -0.039213 0.105249 0.004381 -0.001444 0.030349 0.014725 0.008891 0.065069 -0.029049 -0.005903 0.007621 0.002886 0.007815 0.010758 0.006936 -0.005586 0.026993 0.022135 0.014583 0.045377 0.002837 -0.001656 -0.064717 0.009289 -0.005905 0.069802 -0.006299 -0.013320 0.107038 -0.017092 -0.005760 0.067449 -0.003772 -0.000383 0.069984 0.004105 0.005022 -0.069932 0.023345 -0.005605 -0.111387 0.000825 -0.002091 -0.025172 -0.006555 -0.009069 -0.115377 0.001264 0.001527 0.108114 -0.005848 0.015992 0.032929 0.023782 0.010740 0.099128 -0.039596 0.010097 0.091112 -0.007494 -0.005130 0.027593 0.002323 -0.004754 0.030923 0.028136 0.086676 -0.366812 0.009342 0.011462 -0.096897 -0.015794 -0.002849 0.067646 -0.006781 -0.002061 0.093254 -0.009286 -0.001596 0.068642 -0.004469 0.004085 0.079140 0.027633 -0.006068 -0.055180 0.001527 -0.015838 -0.104759 0.001180 0.007004 -0.023304 0.008735 -0.015255 -0.104020 -0.011212 -0.032567 0.126988 -0.014904 -0.001932 0.028535 0.019812 -0.006156 0.014540 -0.027096 0.008750 0.059881 -0.011919 -0.007922 0.025866 -0.003474 0.011511 0.012376 -0.018822 0.019684 0.040094 0.002018 0.003748 0.007564 -0.000985 -0.006598 0.070821 -0.006442 0.005812 0.107589 -0.006820 -0.006650 0.069887 -0.003845 -0.000607 0.069999 0.003625 -0.004106 -0.059928 0.018732 -0.009333 -0.113858 0.000593 -0.001914 -0.025293 -0.011974 -0.005416 -0.113324 -0.020643 -0.000040 0.106923 -0.007506 0.002948 0.055255 0.029201 0.024002 0.076800 -0.042734 0.024331 0.068172 -0.019983 -0.029383 0.019360 0.016319 -0.030032 0.019705 0.027795 0.101235 -0.362181 0.007462 0.011581 -0.096448 0.264694 0.108913 -0.210445 0.006445 -0.053564 -0.011316 -0.215781 0.093533 -0.259216 0.003948 -0.190627 0.067247 0.001646 -0.037571 -0.017051 0.001936 -0.002723 0.069580 -0.003562 -0.002027 0.093665 0.007925 -0.003728 0.068647 -0.004642 0.000257 0.081820 -0.030070 -0.010476 -0.043510 0.000557 -0.002453 -0.051878 -0.000769 -0.011150 -0.001000 0.004149 -0.001676 -0.050629 -0.000781 0.047327 -0.016807 0.001934 0.012728 -0.027666 -0.002009 0.007752 0.011996 -0.001849 -0.003474 -0.009325 0.013182 0.045725 0.040310 -0.025928 0.032395 0.035510 -0.002172 0.003201 -0.021673 -0.000399 -0.008338 0.006183 0.008033 -0.005359 0.070071 -0.006044 -0.012391 0.108539 -0.015235 -0.005184 0.067841 -0.003425 -0.000766 0.070782 0.002183 0.009774 -0.039689 0.016844 -0.007360 -0.071569 -0.004207 -0.002398 0.033301 -0.002145 -0.007286 -0.077295 0.010149 0.008497 0.016721 -0.001239 -0.008877 -0.007764 -0.035581 -0.019942 -0.039180 0.044725 -0.024333 -0.035180 0.016954 0.013304 0.053942 -0.021317 0.016367 0.048380 0.017984 0.036396 -0.256839 0.004662 0.001390 -0.010224 -0.014904 -0.003742 0.067510 -0.006120 -0.002137 0.093867 -0.008881 -0.002603 0.068820 -0.004242 0.003506 0.080668 0.033932 -0.010104 -0.038967 -0.005655 -0.013398 -0.060945 -0.001590 -0.001802 0.027702 0.010871 -0.012843 -0.058804 -0.001644 0.054403 -0.005107 -0.000172 0.013108 -0.028169 -0.002175 -0.002663 -0.008915 -0.000411 0.007158 0.008320 0.022522 0.035197 0.038475 -0.016160 0.046684 0.038434 0.014342 0.005022 -0.021687 -0.004928 -0.008900 0.092003 -0.001555 -0.005814 0.071036 -0.006165 0.005117 0.109036 -0.005667 -0.005851 0.070225 -0.003691 -0.000965 0.070722 0.001567 -0.005790 -0.029160 0.010211 -0.007250 -0.078190 -0.000467 -0.002250 0.033585 -0.010045 -0.007517 -0.071813 -0.012165 0.009470 0.016023 -0.002305 -0.005302 -0.000794 -0.031878 -0.021540 -0.044626 0.043091 -0.027435 -0.040996 0.017123 -0.011037 0.056403 -0.021610 -0.012618 0.054996 0.018610 0.026892 -0.264449 -0.003296 0.001085 -0.011203 0.311586 0.047550 -0.160606 -0.005879 -0.069632 -0.002024 -0.288516 0.051765 -0.199779 -0.009525 -0.114065 0.006231 -0.004054 -0.046870 0.005115 -0.000216 -0.004796 0.070268 -0.004923 -0.002232 0.094385 0.005968 -0.005354 0.068495 -0.005764 -0.001378 0.082977 -0.046709 -0.019203 -0.016190 -0.014349 0.010434 0.003808 -0.005533 -0.037169 0.054709 0.009518 0.010792 0.007905 0.015654 0.237661 -0.294163 -0.003104 0.045809 -0.146254 -0.033157 0.005705 -0.102046 0.064641 0.005139 -0.046637 0.036301 0.124874 0.112223 -0.094835 0.113563 0.061604 -0.049582 -0.010233 -0.289091 -0.012422 -0.019066 0.167319 0.003469 -0.004340 0.070664 -0.007181 -0.010324 0.110192 -0.012829 -0.004079 0.068688 -0.004687 -0.001898 0.072728 -0.002836 0.017653 0.015768 0.004377 -0.010699 0.000831 -0.014353 -0.003101 0.133742 0.002683 -0.004366 -0.007615 0.022201 0.025725 -0.164298 0.004581 -0.046998 -0.094505 -0.172668 -0.106449 -0.349560 0.227791 -0.114972 -0.314798 0.069233 0.057876 0.114583 -0.076111 0.062402 0.099425 -0.003660 -0.071677 0.045862 -0.006425 -0.017569 0.186141 -0.015003 -0.005414 0.067393 -0.006935 -0.002406 0.094540 -0.008959 -0.004567 0.069691 -0.005572 0.001750 0.083877 0.042954 -0.018089 -0.007782 -0.018582 -0.009350 0.018448 -0.008003 -0.016261 0.116008 0.011557 -0.008828 0.023025 0.015693 0.259069 -0.304350 0.028260 0.050395 -0.144802 -0.045509 0.003986 -0.057274 0.048075 0.000785 -0.095029 0.094621 0.124902 0.070847 -0.046710 0.125749 0.103364 0.089667 -0.013210 -0.279979 -0.019312 -0.036569 0.283230 -0.004278 -0.004209 0.071289 -0.007275 0.003788 0.111043 -0.005174 -0.004239 0.070723 -0.004870 -0.002022 0.072560 -0.003804 -0.009547 0.028042 -0.005350 -0.003915 -0.012974 -0.004087 -0.002900 0.134764 -0.009088 -0.011415 0.003557 -0.007673 0.024942 -0.165817 0.007392 -0.022382 -0.106789 -0.169226 -0.142684 -0.314480 0.221639 -0.154280 -0.280757 0.095762 0.027132 0.138601 -0.103456 0.024643 0.127872 -0.001417 -0.133334 0.009422 -0.033575 -0.018369 0.183749 0.476917 -0.021365 0.062388 -0.009184 -0.117341 0.028805 -0.466924 -0.015790 0.001197 -0.003022 0.000391 -0.079513 -0.014619 -0.090777 0.057949 0.000894 -0.004126 0.071091 -0.004389 -0.002399 0.095338 0.006835 -0.004889 0.069743 -0.005263 -0.000854 0.083718 -0.038968 -0.015265 -0.028050 -0.007514 0.004152 -0.021127 -0.003361 -0.025596 0.030487 0.007093 0.004703 -0.018385 0.008807 0.140170 -0.151434 -0.000897 0.028305 -0.086576 -0.020571 0.006792 -0.047762 0.030151 -0.000278 -0.027174 0.024451 0.085025 0.077130 -0.059821 0.071837 0.047693 -0.026850 -0.005946 -0.132021 -0.004781 -0.013240 0.089978 0.005661 -0.005081 0.071626 -0.006666 -0.011633 0.110786 -0.014067 -0.004863 0.069468 -0.004088 -0.001617 0.072980 -0.000522 0.013753 -0.009128 0.010051 -0.009415 -0.031942 -0.009732 -0.003041 0.088780 0.000635 -0.005983 -0.039219 0.017472 0.016852 -0.073733 0.001054 -0.031644 -0.049449 -0.104193 -0.061840 -0.189341 0.136563 -0.070252 -0.167516 0.044348 0.033882 0.084055 -0.050381 0.038331 0.073795 0.006477 -0.017545 -0.120084 -0.002164 -0.010177 0.084021 -0.014966 -0.004944 0.068660 -0.006527 -0.002529 0.095536 -0.009057 -0.003960 0.070405 -0.004972 0.002408 0.083561 0.038794 -0.014522 -0.021506 -0.012797 -0.011507 -0.017632 -0.005056 -0.010049 0.076510 0.011442 -0.010965 -0.014169 0.008750 0.153928 -0.150575 0.013867 0.031440 -0.087329 -0.025077 -0.000083 -0.032385 0.024954 0.002536 -0.043234 0.057710 0.080391 0.055029 -0.031406 0.085828 0.073640 0.052311 -0.005689 -0.128074 -0.011671 -0.022959 0.190081 -0.003031 -0.005252 0.072422 -0.006776 0.004117 0.111380 -0.005437 -0.005287 0.071720 -0.004357 -0.001777 0.072850 -0.001311 -0.007954 0.002178 0.001690 -0.005726 -0.042459 -0.002421 -0.002874 0.089437 -0.009419 -0.009850 -0.030588 -0.007853 0.016509 -0.075652 0.003370 -0.015285 -0.053092 -0.101792 -0.080624 -0.179320 0.133009 -0.087968 -0.159566 0.057316 0.007777 0.099373 -0.064069 0.005192 0.090780 0.007880 -0.052967 -0.141426 -0.019584 -0.010554 0.082883 0.383492 0.035772 -0.087423 0.001790 -0.094490 0.006276 -0.365660 0.008863 -0.145581 -0.011889 -0.054903 -0.049304 -0.007511 -0.050166 0.018845 -0.000657 -0.003861 0.070207 -0.004970 -0.001863 0.095463 0.006284 -0.004602 0.068627 -0.005904 -0.000734 0.083515 -0.041258 -0.012461 -0.032752 -0.009974 0.006384 -0.022615 -0.003599 -0.023979 0.022109 0.008082 0.006959 -0.019256 0.007273 0.125448 -0.142603 -0.006462 0.025675 -0.063292 -0.025141 0.012990 -0.047665 0.031901 0.009195 -0.025053 0.011839 0.070721 0.059716 -0.048055 0.057282 0.033305 -0.032600 0.011114 -0.163348 -0.005886 -0.005784 0.111025 0.004134 -0.003920 0.070275 -0.007251 -0.010215 0.110265 -0.013663 -0.003654 0.068187 -0.004759 -0.001420 0.071763 -0.000784 0.012677 -0.014954 0.008815 -0.008847 -0.035198 -0.010323 -0.006771 0.077607 0.001831 -0.004082 -0.042011 0.012269 0.010940 -0.070025 -0.000156 -0.030897 -0.032002 -0.085292 -0.053339 -0.184937 0.113253 -0.058902 -0.166470 0.034663 0.038097 0.069801 -0.037822 0.042638 0.061002 0.000511 -0.018650 -0.048281 -0.002407 -0.003698 0.084131 -0.015567 -0.004681 0.067578 -0.007194 -0.002006 0.095658 -0.008717 -0.003649 0.069653 -0.005661 0.002363 0.083537 0.040008 -0.011475 -0.025917 -0.014219 -0.010059 -0.013623 -0.005693 -0.005720 0.075652 0.010940 -0.009400 -0.009968 0.008611 0.132498 -0.146491 0.015046 0.024396 -0.061128 -0.027925 0.008251 -0.031795 0.029431 0.010834 -0.042683 0.045857 0.061331 0.038272 -0.017492 0.066775 0.053948 0.057243 0.011929 -0.160117 -0.012677 -0.017723 0.203540 -0.003861 -0.004020 0.071245 -0.007357 0.004588 0.110816 -0.005781 -0.004031 0.070574 -0.004892 -0.001534 0.071575 -0.001661 -0.010889 -0.003845 -0.000704 -0.004047 -0.045517 -0.001844 -0.006591 0.078341 -0.009239 -0.009102 -0.034081 -0.004781 0.011119 -0.070609 0.001997 -0.019516 -0.033110 -0.083106 -0.073140 -0.170602 0.110368 -0.077980 -0.152815 0.050778 0.015016 0.079885 -0.056079 0.012511 0.073299 0.001841 -0.057808 -0.064965 -0.017918 -0.003663 0.081896 0.449673 -0.005034 -0.073517 0.011978 -0.089499 -0.029912 -0.414971 -0.004415 -0.107068 0.001656 -0.025967 -0.068433 -0.001981 -0.072103 -0.025810 -0.003940 -0.004095 0.071130 -0.004294 -0.001565 0.098337 0.006645 -0.004764 0.068032 -0.005907 -0.001862 0.085193 -0.045032 -0.005481 -0.044275 -0.015933 0.011581 -0.025046 -0.002351 -0.020758 -0.001876 0.013509 0.012211 -0.019722 0.005885 0.087609 -0.120976 -0.022358 0.007447 0.012153 -0.037639 0.035285 -0.044481 0.045416 0.036841 -0.015550 -0.023218 0.025466 0.019261 -0.013626 0.007216 -0.000841 -0.060538 0.066668 -0.303584 -0.008703 0.015943 0.181053 0.001499 -0.002091 0.069045 -0.007088 -0.007745 0.110709 -0.010650 -0.001646 0.067156 -0.004983 -0.002343 0.071256 0.000374 0.008088 -0.030412 0.006946 -0.008883 -0.042963 -0.009985 -0.019798 0.043931 0.007521 0.000482 -0.047965 -0.001148 -0.007583 -0.061339 -0.001782 -0.029923 0.019418 -0.028139 -0.026308 -0.168329 0.045949 -0.022472 -0.162016 0.000402 0.052216 0.028475 0.003726 0.047117 0.026482 -0.012699 -0.022859 0.165221 -0.000589 0.014546 0.084341 -0.015582 -0.004929 0.067008 -0.007775 -0.001807 0.098496 -0.005403 -0.003769 0.070939 -0.005911 0.000438 0.086429 0.044354 -0.003713 -0.036722 -0.016195 -0.006530 0.000486 -0.005589 0.006275 0.073937 0.011046 -0.005563 0.004715 0.009271 0.074851 -0.139857 0.021497 0.004065 0.016918 -0.036949 0.034917 -0.025593 0.046204 0.035684 -0.041454 0.012350 0.010821 0.006020 0.020013 0.014752 0.016170 0.093114 0.066335 -0.304183 -0.019329 -0.012998 0.266520 -0.004347 -0.001902 0.070697 -0.007224 0.004728 0.111469 -0.005025 -0.001849 0.070089 -0.004570 -0.002301 0.070928 -0.000758 -0.021170 -0.020066 -0.006139 -0.000287 -0.052300 0.001898 -0.019565 0.044907 -0.006760 -0.008599 -0.042649 0.010881 -0.006024 -0.061857 -0.000525 -0.031631 0.024409 -0.033413 -0.051185 -0.139123 0.046666 -0.050239 -0.132998 0.031528 0.036365 0.036676 -0.031743 0.030425 0.033574 -0.010392 -0.064402 0.166033 -0.010717 0.017228 0.080706 0.611348 -0.037047 -0.003275 0.010067 -0.126359 -0.162878 -0.585994 -0.042252 -0.066267 0.031763 -0.000691 -0.170481 0.001068 -0.070615 -0.149243 -0.011747 -0.004784 0.076140 -0.000745 -0.002288 0.103642 0.007853 -0.004868 0.067191 -0.005842 -0.005653 0.088592 -0.049004 0.007466 -0.066408 -0.030434 0.020457 -0.029886 0.000261 -0.015548 -0.051241 0.027116 0.021252 -0.020148 0.010331 0.048686 -0.129184 -0.053471 -0.026807 0.149256 -0.062417 0.069980 -0.050705 0.073564 0.091879 0.004935 -0.098104 -0.068973 -0.030554 0.062049 -0.096994 -0.083400 -0.212590 0.176199 -0.802338 -0.013160 0.057528 0.322690 -0.002753 -0.001147 0.068429 -0.006585 -0.005415 0.110199 -0.005680 -0.000325 0.066884 -0.005607 -0.005445 0.071710 0.002882 -0.000843 -0.061709 0.002809 -0.012162 -0.059136 -0.009353 -0.049898 -0.033438 0.019534 0.008636 -0.059753 -0.030225 -0.049874 -0.056971 -0.002086 -0.026773 0.104457 0.072539 0.016036 -0.152092 -0.062970 0.030879 -0.167863 -0.078987 0.073882 -0.058151 0.092891 0.062443 -0.046924 -0.048890 -0.043947 0.593903 0.001833 0.047106 0.085929 -0.016005 -0.005124 0.066240 -0.010913 -0.002781 0.103433 0.002344 -0.004232 0.076863 -0.006461 -0.005815 0.094608 0.049591 0.011023 -0.057833 -0.019433 0.000206 0.029016 -0.004932 0.031403 0.067207 0.010906 0.001785 0.034369 0.016118 0.011863 -0.169066 0.036707 -0.033615 0.165603 -0.059620 0.091741 -0.012622 0.080222 0.079040 -0.046983 -0.044530 -0.090506 -0.075664 0.113260 -0.086751 -0.019984 0.293273 0.188366 -0.797388 -0.023322 -0.003832 0.393322 -0.004333 0.000178 0.071762 -0.006842 0.004187 0.113222 -0.004592 0.000302 0.071038 -0.003623 -0.005102 0.070992 0.001119 -0.042253 -0.053064 -0.017315 0.005850 -0.066202 0.010668 -0.049481 -0.031930 -0.001333 -0.010736 -0.060217 0.048941 -0.051431 -0.052187 -0.004339 -0.047530 0.124196 0.055305 -0.017263 -0.104638 -0.054434 -0.007250 -0.107323 -0.000919 0.072362 -0.052227 0.013682 0.070858 -0.046072 -0.044695 -0.089831 0.631233 0.004003 0.052165 0.080421 0.823917 -0.028701 0.428206 0.021530 -0.163375 -0.359974 -0.898967 -0.069649 0.346616 0.053433 -0.024589 -0.468206 0.008581 -0.092169 -0.340823 -0.024212 -0.006323 0.085913 0.005030 -0.003351 0.109579 0.008674 -0.003327 0.063827 -0.007475 -0.013032 0.097827 -0.062215 0.037643 -0.106599 -0.065375 0.037226 -0.031658 0.003548 0.001978 -0.145440 0.056938 0.038680 -0.012364 0.036039 0.179184 -0.361499 -0.105884 -0.111536 0.404083 -0.089486 0.123317 -0.061697 0.116051 0.222770 0.033406 -0.289718 -0.263503 -0.187107 0.216735 -0.373093 -0.319701 -1.045602 0.342672 -2.220624 -0.001998 0.134481 0.304628 -0.009288 -0.001381 0.069215 -0.007212 -0.003643 0.107549 -0.000996 0.000214 0.067694 -0.007624 -0.009160 0.069552 0.006483 -0.009931 -0.118390 -0.009217 -0.020580 -0.085391 -0.011983 -0.124456 -0.228376 0.042656 0.024403 -0.081955 -0.089309 -0.153201 -0.061122 -0.001877 -0.019482 0.208586 0.263632 0.077027 -0.155886 -0.256230 0.110342 -0.210041 -0.253315 0.184442 -0.210771 0.288075 0.161406 -0.188604 -0.112867 -0.174346 1.518082 0.015451 0.117842 0.063460 -0.018186 -0.003651 0.062907 -0.018489 -0.004413 0.108674 0.011607 -0.005411 0.087977 -0.008779 -0.015444 0.107848 0.061849 0.045856 -0.095326 -0.029125 0.008175 0.091021 -0.004567 0.096005 0.053646 0.010379 0.010959 0.099304 0.042614 0.084046 -0.437797 0.068127 -0.131630 0.435790 -0.095358 0.223442 -0.001988 0.123361 0.150274 -0.071394 -0.178597 -0.368267 -0.325750 0.314917 -0.304536 -0.141739 1.297581 0.406155 -2.146655 -0.020067 0.025774 0.399213 -0.005890 0.002183 0.074252 -0.008044 0.002856 0.119105 -0.005373 0.002216 0.073589 -0.003262 -0.008070 0.068026 0.002867 -0.080824 -0.112439 -0.041725 0.016813 -0.093121 0.034020 -0.123714 -0.225425 0.009069 -0.016482 -0.088856 0.128552 -0.159164 -0.049709 -0.013026 -0.048230 0.284741 0.215266 0.030566 -0.079589 -0.216611 0.050223 -0.108241 -0.066606 0.167613 -0.246000 0.107902 0.155992 -0.230344 -0.105111 -0.212411 1.642388 0.017696 0.123346 0.049965 0.847253 -0.031095 2.163566 0.034069 -0.282966 -0.508794 -1.229307 -0.119831 2.152629 0.110140 -0.054367 -1.066099 0.023423 -0.135269 -0.461549 -0.015841 -0.005074 0.079380 0.000752 -0.002697 0.106124 0.007816 -0.004564 0.067237 -0.006458 -0.007493 0.090757 -0.050979 0.013563 -0.075396 -0.038531 0.024314 -0.031007 0.000751 -0.012820 -0.072501 0.033537 0.025226 -0.019170 0.012183 0.054699 -0.156741 -0.067141 -0.042130 0.207563 -0.070384 0.083347 -0.053525 0.084333 0.119882 0.015449 -0.141837 -0.109209 -0.054354 0.094636 -0.147687 -0.129711 -0.339451 0.223820 -1.102277 -0.012894 0.075143 0.375694 -0.004811 -0.001270 0.069297 -0.007021 -0.004919 0.110087 -0.004580 -0.000270 0.067798 -0.006569 -0.006706 0.072303 0.003413 -0.003949 -0.074754 0.000033 -0.014372 -0.065480 -0.009930 -0.064912 -0.071760 0.024437 0.012077 -0.064365 -0.041997 -0.070213 -0.054182 -0.002253 -0.025522 0.135868 0.122613 0.036690 -0.147925 -0.105875 0.051293 -0.174533 -0.115090 0.088919 -0.074879 0.131975 0.073985 -0.067076 -0.061057 -0.060705 0.787470 0.002753 0.061586 0.084873 -0.016897 -0.004849 0.066282 -0.013461 -0.003312 0.105711 0.005102 -0.004415 0.080547 -0.007378 -0.008744 0.099101 0.050838 0.018050 -0.066399 -0.021723 0.002940 0.042728 -0.005177 0.044009 0.064319 0.010413 0.004788 0.048670 0.020991 0.003127 -0.201362 0.044911 -0.054301 0.229380 -0.069721 0.118619 -0.007307 0.091615 0.097433 -0.054661 -0.074657 -0.140772 -0.127953 0.158047 -0.131886 -0.038328 0.448044 0.244106 -1.090398 -0.027251 -0.000577 0.426700 -0.004687 0.000668 0.073144 -0.007366 0.003827 0.114933 -0.005378 0.000806 0.072398 -0.003721 -0.006198 0.071421 0.001288 -0.051352 -0.066901 -0.023040 0.008265 -0.071830 0.014713 -0.064414 -0.069981 0.000679 -0.012420 -0.067153 0.069565 -0.073609 -0.051206 -0.005846 -0.051589 0.165091 0.096279 -0.002330 -0.092722 -0.091091 0.007657 -0.101164 -0.012412 0.090596 -0.095793 0.033410 0.085107 -0.089660 -0.053686 -0.105536 0.846389 0.008927 0.068913 0.075135 0.888784 -0.045165 0.728127 0.024713 -0.183912 -0.408465 -1.020773 -0.083836 0.631557 0.067167 -0.036572 -0.631523 0.012245 -0.093156 -0.389088 -0.016758 -0.004857 0.079755 0.000689 -0.002440 0.106398 0.007517 -0.004249 0.067154 -0.006858 -0.007461 0.091004 -0.051393 0.014235 -0.075836 -0.039718 0.025248 -0.031245 0.000515 -0.011954 -0.075702 0.033907 0.026196 -0.019207 0.012103 0.052894 -0.156332 -0.068503 -0.043919 0.212438 -0.072324 0.083509 -0.054866 0.085901 0.120949 0.016147 -0.146005 -0.112070 -0.057557 0.095522 -0.149761 -0.133845 -0.350495 0.224777 -1.098822 -0.013575 0.076318 0.382512 -0.005377 -0.001047 0.069333 -0.007396 -0.004613 0.109967 -0.004770 -0.000030 0.067839 -0.007029 -0.006591 0.072246 0.003169 -0.004545 -0.076967 -0.000158 -0.014075 -0.066549 -0.010221 -0.066726 -0.077154 0.024189 0.012991 -0.065019 -0.043334 -0.069288 -0.055769 -0.002229 -0.024734 0.138644 0.127443 0.039816 -0.143178 -0.111056 0.053354 -0.171076 -0.120740 0.088921 -0.077222 0.134471 0.075122 -0.067863 -0.061445 -0.061666 0.798107 0.002316 0.063405 0.083443 -0.017347 -0.004536 0.066171 -0.014174 -0.003073 0.105945 0.005207 -0.004186 0.080976 -0.007811 -0.008865 0.099654 0.050468 0.018772 -0.066812 -0.022016 0.003781 0.044197 -0.005474 0.046208 0.063340 0.009767 0.005641 0.050207 0.020655 0.001143 -0.201645 0.045397 -0.055390 0.234364 -0.071970 0.120349 -0.007312 0.094199 0.096939 -0.057007 -0.075691 -0.143862 -0.133824 0.159859 -0.135673 -0.041462 0.458855 0.244759 -1.084251 -0.026979 -0.002280 0.426978 -0.005014 0.000963 0.073290 -0.007748 0.004062 0.115051 -0.005828 0.001093 0.072525 -0.004025 -0.006063 0.071355 0.001006 -0.052659 -0.068967 -0.023501 0.009064 -0.072485 0.014843 -0.066205 -0.075308 0.000150 -0.012086 -0.068329 0.071159 -0.072533 -0.053267 -0.006102 -0.050897 0.169128 0.100618 0.000666 -0.087003 -0.096747 0.012175 -0.096905 -0.014786 0.091680 -0.101961 0.035296 0.085936 -0.094479 -0.054611 -0.104357 0.859937 0.008574 0.069189 0.073923 0.889678 -0.047420 0.723086 0.019268 -0.187100 -0.411381 -0.997494 -0.084063 0.642281 0.074759 -0.039464 -0.646505 0.009203 -0.099415 -0.394284 -0.018358 -0.005034 0.079915 0.001329 -0.002436 0.106062 0.007604 -0.004129 0.065912 -0.007072 -0.008104 0.090864 -0.051778 0.015594 -0.078033 -0.042394 0.027273 -0.032720 0.000808 -0.009966 -0.086402 0.036091 0.028318 -0.020080 0.013285 0.049362 -0.158052 -0.071712 -0.047034 0.227222 -0.075187 0.081174 -0.060194 0.091246 0.125104 0.016681 -0.157269 -0.121839 -0.065424 0.102287 -0.157726 -0.147978 -0.380491 0.226649 -1.082893 -0.014182 0.079392 0.399390 -0.006054 -0.001134 0.068463 -0.007517 -0.004444 0.108573 -0.004415 -0.000066 0.067054 -0.007379 -0.007009 0.071154 0.003429 -0.007010 -0.084583 0.000204 -0.014008 -0.070627 -0.010112 -0.073170 -0.094830 0.024491 0.014931 -0.067855 -0.046950 -0.067366 -0.064976 -0.002178 -0.023158 0.146460 0.143005 0.046137 -0.132170 -0.128285 0.061331 -0.160672 -0.136009 0.091646 -0.085143 0.149535 0.074062 -0.076449 -0.063520 -0.063743 0.827439 0.002158 0.066760 0.074735 -0.017700 -0.004419 0.064915 -0.015122 -0.003114 0.105514 0.006351 -0.004310 0.081307 -0.008110 -0.009879 0.100363 0.050468 0.020301 -0.068904 -0.022048 0.005435 0.047959 -0.005368 0.052297 0.059361 0.008917 0.007334 0.054161 0.023462 -0.006845 -0.203664 0.046320 -0.058700 0.248397 -0.076691 0.125459 -0.007737 0.100115 0.096188 -0.062251 -0.079966 -0.151532 -0.151416 0.170308 -0.145931 -0.047269 0.488621 0.243672 -1.059272 -0.025269 -0.000395 0.432335 -0.005026 0.001046 0.072746 -0.007932 0.003958 0.114566 -0.006175 0.001172 0.071989 -0.003977 -0.006421 0.070224 0.001151 -0.057355 -0.076104 -0.023958 0.010665 -0.075338 0.016302 -0.072570 -0.092783 -0.000401 -0.011897 -0.072721 0.075760 -0.068803 -0.060089 -0.007357 -0.050180 0.176664 0.116707 0.010624 -0.072933 -0.112485 0.020576 -0.085300 -0.021327 0.096857 -0.118744 0.041379 0.090574 -0.109523 -0.058602 -0.103102 0.892276 0.009772 0.071468 0.065971 0.903812 -0.026939 0.744440 0.016715 -0.210993 -0.390464 -1.009564 -0.089358 0.663769 0.068097 -0.054894 -0.722408 0.018212 -0.090345 -0.370880 -0.020732 -0.005660 0.081891 0.002932 -0.002633 0.107269 0.008217 -0.004126 0.065309 -0.007038 -0.009595 0.092617 -0.052539 0.018119 -0.080180 -0.047132 0.031079 -0.033283 0.001858 -0.005767 -0.105484 0.040789 0.032301 -0.019462 0.016813 0.040458 -0.160795 -0.076452 -0.053576 0.257609 -0.083394 0.078735 -0.069043 0.102964 0.133664 0.019431 -0.178188 -0.143694 -0.083906 0.116208 -0.179582 -0.180722 -0.445491 0.226794 -1.032018 -0.015869 0.084861 0.424433 -0.006840 -0.001576 0.068655 -0.007321 -0.004331 0.107966 -0.003309 -0.000395 0.067290 -0.007534 -0.007913 0.070696 0.004461 -0.011951 -0.097736 0.001374 -0.014003 -0.076554 -0.009534 -0.086687 -0.129392 0.025472 0.018554 -0.071529 -0.053610 -0.060106 -0.079289 -0.002032 -0.020321 0.162120 0.172195 0.061081 -0.103871 -0.161516 0.079490 -0.137834 -0.163461 0.097275 -0.100014 0.176898 0.079595 -0.090819 -0.067655 -0.070911 0.880585 0.004264 0.073872 0.058769 -0.017874 -0.004399 0.064364 -0.016383 -0.003408 0.106510 0.008768 -0.004855 0.083655 -0.008230 -0.011903 0.103370 0.051364 0.023166 -0.070816 -0.021821 0.008114 0.057621 -0.004699 0.064795 0.053527 0.007869 0.010097 0.064240 0.026599 -0.027831 -0.210602 0.048881 -0.066719 0.280179 -0.087477 0.134364 -0.006915 0.111960 0.093563 -0.073036 -0.088534 -0.173210 -0.182902 0.196221 -0.168778 -0.061668 0.542763 0.244734 -0.993276 -0.026187 0.005052 0.440045 -0.004678 0.000921 0.073549 -0.007847 0.003474 0.115668 -0.006272 0.001018 0.072771 -0.003413 -0.007220 0.069659 0.001908 -0.066814 -0.088414 -0.024308 0.013605 -0.079022 0.019937 -0.085925 -0.126892 -0.001045 -0.011638 -0.079268 0.085222 -0.061400 -0.074469 -0.007925 -0.047313 0.197365 0.145934 0.030101 -0.039732 -0.142695 0.038531 -0.057875 -0.033655 0.107949 -0.141463 0.057384 0.100799 -0.138113 -0.062287 -0.098811 0.950677 0.011722 0.077270 0.051275 0.848291 -0.005714 0.755296 0.024103 -0.232532 -0.387690 -0.992703 -0.071838 0.681072 0.085787 -0.062343 -0.865933 0.018520 -0.117952 -0.355470 -0.024178 -0.006534 0.084432 0.004226 -0.002262 0.108693 0.008681 -0.003924 0.063417 -0.007544 -0.011585 0.096196 -0.057133 0.023929 -0.083718 -0.056313 0.039017 -0.032767 0.003346 0.005260 -0.143154 0.048632 0.040605 -0.016677 0.021522 0.036199 -0.178439 -0.082442 -0.070093 0.316416 -0.103178 0.068834 -0.096222 0.123274 0.151323 0.017814 -0.214179 -0.189798 -0.144053 0.142073 -0.224907 -0.252862 -0.552427 0.213883 -0.854857 -0.017945 0.096609 0.392140 -0.008578 -0.001569 0.068360 -0.007423 -0.003484 0.106903 -0.002048 -0.000144 0.066812 -0.007931 -0.008473 0.068562 0.005967 -0.020395 -0.124075 0.003095 -0.012152 -0.087483 -0.009077 -0.115187 -0.204311 0.026737 0.026925 -0.079074 -0.064061 -0.044301 -0.116304 -0.001501 -0.014560 0.186944 0.235288 0.090031 -0.046213 -0.235074 0.118788 -0.092184 -0.213940 0.119144 -0.163227 0.237230 0.097174 -0.147951 -0.073727 -0.081585 0.993950 0.007468 0.087031 0.028475 -0.018539 -0.004146 0.062490 -0.018154 -0.003243 0.107784 0.011331 -0.005611 0.086548 -0.008875 -0.014124 0.107282 0.054918 0.029760 -0.073490 -0.022392 0.012404 0.078030 -0.003897 0.092650 0.042088 0.005468 0.014515 0.085494 0.028164 -0.059464 -0.236433 0.052858 -0.087364 0.339754 -0.106041 0.155581 -0.012782 0.138085 0.083721 -0.102860 -0.109587 -0.218704 -0.249736 0.231663 -0.215993 -0.107596 0.617804 0.233837 -0.790461 -0.020626 0.018483 0.391652 -0.005274 0.001378 0.073658 -0.008217 0.003138 0.117633 -0.006255 0.001424 0.073003 -0.003212 -0.007576 0.067237 0.002834 -0.084695 -0.113100 -0.025510 0.020742 -0.086484 0.027467 -0.114149 -0.200829 -0.003034 -0.009176 -0.091494 0.103348 -0.044409 -0.113744 -0.008474 -0.037393 0.236267 0.202104 0.066801 0.017933 -0.208062 0.076220 -0.010031 -0.060141 0.135957 -0.196800 0.095739 0.127357 -0.189666 -0.068772 -0.099217 1.079464 0.018463 0.091148 0.019267 0.568409 0.004642 0.753605 0.019149 -0.288161 -0.323303 -0.692414 -0.062675 0.724024 0.081728 -0.075435 -1.027722 0.009105 -0.142025 -0.272228 -0.024014 -0.006939 0.085263 0.005221 -0.002190 0.109121 0.009750 -0.004087 0.062640 -0.006891 -0.012298 0.097728 -0.058638 0.025902 -0.084482 -0.058501 0.041669 -0.031660 0.004699 0.009919 -0.156406 0.051923 0.043387 -0.014801 0.024374 0.033763 -0.189023 -0.084130 -0.076232 0.336489 -0.107607 0.063659 -0.107108 0.130734 0.157746 0.016200 -0.223525 -0.206205 -0.168357 0.150423 -0.246557 -0.282901 -0.581821 0.209487 -0.767585 -0.016562 0.102009 0.347044 -0.008235 -0.001587 0.068343 -0.006614 -0.003330 0.107035 -0.000905 -0.000050 0.066719 -0.007054 -0.008617 0.067706 0.007356 -0.023459 -0.133355 0.004533 -0.011088 -0.090901 -0.008130 -0.126428 -0.233528 0.028077 0.030242 -0.081446 -0.067944 -0.037592 -0.133610 0.000669 -0.012094 0.193282 0.257883 0.101894 -0.027062 -0.262295 0.134097 -0.073862 -0.232446 0.129484 -0.190403 0.263620 0.108137 -0.173517 -0.078817 -0.086129 1.038446 0.009369 0.092583 0.014326 -0.018006 -0.004280 0.061705 -0.017622 -0.003243 0.108166 0.012576 -0.005992 0.087448 -0.008265 -0.014713 0.108254 0.057669 0.032048 -0.073824 -0.021825 0.013402 0.086265 -0.002768 0.103398 0.038188 0.005389 0.015545 0.094049 0.027244 -0.070673 -0.247300 0.053134 -0.093548 0.359681 -0.111181 0.163253 -0.015728 0.148049 0.079528 -0.114952 -0.115023 -0.240912 -0.278325 0.246743 -0.235655 -0.133468 0.632872 0.227030 -0.692597 -0.013722 0.029588 0.347111 -0.004935 0.001545 0.073580 -0.007530 0.003124 0.118614 -0.005130 0.001581 0.072972 -0.002477 -0.007649 0.066334 0.004009 -0.091212 -0.121958 -0.025184 0.023628 -0.088813 0.031373 -0.125300 -0.229668 -0.002967 -0.007860 -0.095388 0.109398 -0.035524 -0.130212 -0.007674 -0.033108 0.249130 0.223524 0.076929 0.040207 -0.234058 0.089064 0.010742 -0.072957 0.145187 -0.230470 0.110773 0.136159 -0.214992 -0.074112 -0.100176 1.130694 0.023136 0.098215 0.007448 0.364369 0.005944 0.773614 0.008167 -0.300480 -0.292313 -0.527821 -0.062712 0.735427 0.094688 -0.069251 -1.036256 0.005640 -0.161977 -0.243699 -0.024621 -0.007066 0.085183 0.004863 -0.001912 0.108737 0.009566 -0.004301 0.062228 -0.007250 -0.012127 0.097886 -0.058374 0.022238 -0.077033 -0.057546 0.043587 -0.031104 0.004629 0.012470 -0.162164 0.050379 0.045407 -0.014960 0.022709 -0.003380 -0.147884 -0.078697 -0.066510 0.311987 -0.107439 0.051897 -0.118610 0.125655 0.143825 0.016440 -0.206857 -0.193331 -0.166691 0.132615 -0.211069 -0.278325 -0.492207 0.174540 -0.542404 -0.018153 0.094341 0.350009 -0.008492 -0.001634 0.068152 -0.006945 -0.003169 0.106498 -0.001366 -0.000095 0.066501 -0.007372 -0.008502 0.067279 0.007105 -0.027064 -0.137301 0.008805 -0.008948 -0.091493 -0.007886 -0.125888 -0.232996 0.022551 0.031890 -0.080379 -0.062556 -0.013145 -0.149628 0.000717 -0.009214 0.185900 0.246889 0.105102 -0.005752 -0.255356 0.135669 -0.049679 -0.224496 0.114570 -0.188163 0.253241 0.095005 -0.173077 -0.069593 -0.064804 0.926058 0.006658 0.085731 0.009097 -0.018496 -0.004461 0.061290 -0.017960 -0.002999 0.107735 0.012459 -0.006109 0.087415 -0.008678 -0.014670 0.108546 0.055916 0.027893 -0.066553 -0.019906 0.015349 0.086820 -0.002531 0.106880 0.031302 0.002904 0.017222 0.094450 0.024742 -0.102651 -0.205492 0.049367 -0.082283 0.333442 -0.109091 0.149783 -0.013048 0.149135 0.065527 -0.126351 -0.096908 -0.207563 -0.271725 0.228964 -0.219317 -0.133963 0.518106 0.186673 -0.473450 -0.014713 0.033343 0.314223 -0.005205 0.001510 0.073382 -0.007897 0.003256 0.118348 -0.005554 0.001539 0.072779 -0.002823 -0.007530 0.065893 0.003716 -0.094861 -0.123783 -0.020285 0.025492 -0.086617 0.030237 -0.124739 -0.229020 -0.007842 -0.006042 -0.096345 0.104019 -0.008542 -0.146207 -0.006830 -0.030468 0.234277 0.214318 0.084266 0.059246 -0.229837 0.096433 0.031205 -0.069955 0.140847 -0.225814 0.107339 0.133313 -0.213463 -0.065827 -0.073837 1.008220 0.023551 0.090518 0.002324 0.259341 0.019810 0.569189 0.013346 -0.315446 -0.218509 -0.390391 -0.049165 0.552733 0.088658 -0.067140 -1.013506 0.013432 -0.175938 -0.183286 -0.025522 -0.007848 0.085052 0.004677 -0.001478 0.107472 0.009849 -0.005330 0.061214 -0.007495 -0.012006 0.098478 -0.056781 0.011226 -0.055078 -0.053869 0.048890 -0.029491 0.005299 0.020152 -0.179683 0.046651 0.051022 -0.015472 0.015511 -0.102270 -0.032607 -0.059982 -0.036462 0.238998 -0.106219 0.012575 -0.161498 0.108044 0.099143 0.019692 -0.151707 -0.153163 -0.159393 0.082376 -0.115949 -0.265392 -0.254102 0.085553 0.042188 -0.022693 0.068931 0.346857 -0.008398 -0.002293 0.067768 -0.007055 -0.003057 0.104981 -0.001897 -0.000699 0.066067 -0.007472 -0.008508 0.066182 0.007252 -0.038359 -0.149646 0.022399 -0.003072 -0.093668 -0.006383 -0.124537 -0.231467 0.006909 0.036122 -0.077781 -0.041660 0.069513 -0.199775 0.001433 -0.001360 0.165187 0.211146 0.115709 0.059274 -0.224321 0.134968 0.024392 -0.198683 0.069526 -0.183393 0.224759 0.055329 -0.173054 -0.042740 0.004441 0.574365 0.000884 0.066469 -0.007172 -0.019100 -0.005386 0.060303 -0.018060 -0.002671 0.106377 0.012897 -0.006838 0.087406 -0.009022 -0.014922 0.109507 0.051619 0.015500 -0.045159 -0.013521 0.020709 0.088296 -0.000865 0.117164 0.009627 -0.003461 0.021736 0.095581 0.019162 -0.192453 -0.084718 0.035503 -0.044147 0.254567 -0.098803 0.106330 -0.007914 0.152939 0.018828 -0.163316 -0.047934 -0.114384 -0.251688 0.174942 -0.170646 -0.132866 0.199454 0.074680 0.094009 -0.009347 0.050249 0.199169 -0.005211 0.000971 0.072940 -0.008198 0.003201 0.117545 -0.005924 0.000994 0.072354 -0.003008 -0.007561 0.064765 0.003722 -0.106044 -0.129756 -0.004717 0.030357 -0.080625 0.027801 -0.123349 -0.227114 -0.021449 -0.001196 -0.099545 0.086445 0.078483 -0.206119 -0.002043 -0.024783 0.193090 0.190070 0.108305 0.114798 -0.209450 0.117523 0.088116 -0.060670 0.131302 -0.213738 0.098871 0.125131 -0.206552 -0.032663 0.008061 0.625777 0.022750 0.066755 -0.011808 -0.046707 0.057666 0.076057 0.011795 -0.345150 -0.000365 0.007932 -0.027449 0.090511 0.074418 -0.085076 -0.932297 -0.020374 -0.215070 0.059190 -0.026165 -0.008369 0.084655 0.005116 0.000495 0.104676 0.011429 -0.006354 0.059724 -0.006990 -0.010750 0.099711 -0.052747 -0.007941 -0.013646 -0.045796 0.060236 -0.026902 0.007709 0.038557 -0.216367 0.040482 0.063152 -0.017138 0.002829 -0.269099 0.169472 -0.021928 0.023771 0.089197 -0.125547 -0.087052 -0.290311 0.087013 0.022312 0.020676 -0.047297 -0.075827 -0.144114 -0.006666 0.061651 -0.240827 0.148306 -0.082073 0.910461 -0.030492 0.020864 0.321428 -0.007201 -0.002939 0.067272 -0.006170 -0.001593 0.101427 -0.002008 -0.001207 0.065412 -0.006728 -0.007529 0.064261 0.008665 -0.060268 -0.176885 0.050120 0.008979 -0.100553 -0.002651 -0.120758 -0.228697 -0.022891 0.044306 -0.075397 0.007510 0.257750 -0.333011 0.008503 0.023062 0.124131 0.138290 0.127906 0.179866 -0.160902 0.138053 0.157513 -0.150364 -0.027219 -0.178817 0.169433 -0.029357 -0.179358 0.017552 0.166951 -0.200152 -0.011227 0.025105 -0.034098 -0.019430 -0.006189 0.058808 -0.016951 -0.000934 0.103425 0.014581 -0.007249 0.087324 -0.008746 -0.014462 0.111673 0.044505 -0.006162 -0.004954 -0.000826 0.031817 0.090031 0.003823 0.139964 -0.038174 -0.014014 0.031113 0.097064 0.004958 -0.333559 0.127700 0.025239 0.025352 0.096903 -0.077928 0.026975 0.007259 0.183735 -0.094261 -0.281226 0.037680 0.057718 -0.216737 0.061704 -0.068224 -0.142733 -0.297052 -0.117774 0.915602 0.005554 0.135500 -0.163376 -0.004405 0.000760 0.072182 -0.007699 0.003834 0.115820 -0.005515 0.000772 0.071707 -0.002364 -0.006597 0.062844 0.004952 -0.126632 -0.144599 0.027100 0.039643 -0.072011 0.024273 -0.119460 -0.223581 -0.046825 0.008662 -0.107899 0.046240 0.279310 -0.353622 0.008301 -0.010780 0.112962 0.134197 0.148814 0.213023 -0.160901 0.154433 0.194228 -0.045665 0.118012 -0.195426 0.078605 0.114003 -0.189150 0.031964 0.186298 -0.252834 0.021724 0.020280 -0.029974 -0.743419 0.077628 -0.543376 -0.042912 -0.416996 0.548199 0.800344 -0.009193 -0.460694 0.037075 -0.187603 -0.549553 -0.071088 -0.359628 0.719558 -0.026416 -0.007930 0.084562 0.004375 -0.000404 0.105889 0.010040 -0.005676 0.060128 -0.007817 -0.011229 0.098760 -0.055407 0.001974 -0.035317 -0.050534 0.054499 -0.028525 0.005881 0.028715 -0.197178 0.043115 0.056986 -0.016472 0.007232 -0.186346 0.069253 -0.042748 -0.006945 0.169465 -0.113473 -0.031484 -0.214392 0.095875 0.061349 0.018992 -0.104090 -0.117250 -0.153084 0.038359 -0.029815 -0.254133 -0.051884 -0.001819 0.494071 -0.027592 0.045256 0.337910 -0.008378 -0.002372 0.067193 -0.007206 -0.002217 0.103073 -0.002496 -0.000720 0.065439 -0.007657 -0.007882 0.064923 0.007355 -0.048544 -0.162521 0.035116 0.002940 -0.096887 -0.005118 -0.122596 -0.230448 -0.007894 0.040395 -0.076518 -0.019615 0.154379 -0.258081 0.004118 0.009465 0.144318 0.179788 0.122863 0.117281 -0.196728 0.134226 0.089124 -0.174975 0.023739 -0.178541 0.197049 0.015277 -0.175083 -0.013793 0.074744 0.216498 -0.005978 0.046683 -0.021079 -0.019804 -0.005617 0.059223 -0.018118 -0.001669 0.104707 0.013186 -0.006886 0.087061 -0.009438 -0.014537 0.110207 0.047633 0.005018 -0.025948 -0.007862 0.026247 0.088975 0.000755 0.127969 -0.012665 -0.009232 0.026471 0.096107 0.011239 -0.266413 0.021289 0.028018 -0.010266 0.182320 -0.090980 0.068522 -0.000407 0.160263 -0.032273 -0.210674 -0.004793 -0.030429 -0.236220 0.120866 -0.121793 -0.137207 -0.052546 -0.017967 0.528876 -0.003452 0.085413 0.053343 -0.005349 0.001074 0.072280 -0.008524 0.003713 0.116501 -0.006314 0.001079 0.071717 -0.003259 -0.006945 0.063501 0.003732 -0.115798 -0.136658 0.009914 0.035164 -0.076346 0.025528 -0.121364 -0.225729 -0.034206 0.003795 -0.103512 0.067996 0.168532 -0.270536 0.000101 -0.018321 0.152417 0.163708 0.127422 0.163598 -0.190769 0.136673 0.140716 -0.054985 0.125235 -0.203311 0.090187 0.118790 -0.198742 -0.005608 0.088018 0.226723 0.020991 0.045347 -0.022031 -0.362761 0.056917 -0.279293 -0.002859 -0.377485 0.247838 0.393031 -0.012417 -0.217860 0.071937 -0.115060 -0.782112 -0.036729 -0.266421 0.343233 -0.026633 -0.007931 0.084770 0.004678 -0.000149 0.104958 0.009980 -0.006047 0.060392 -0.007723 -0.010575 0.099134 -0.051172 -0.003259 -0.025447 -0.045805 0.055609 -0.027465 0.005651 0.024274 -0.193641 0.038836 0.058072 -0.017740 0.005801 -0.176030 0.067399 -0.029038 0.010289 0.116197 -0.065248 -0.022374 -0.166852 0.068214 0.054859 0.039774 -0.076859 -0.086569 -0.140650 0.023904 -0.006682 -0.238448 -0.050277 -0.004854 0.379416 -0.026641 0.034409 0.299886 -0.008130 -0.002406 0.067274 -0.007058 -0.001843 0.102253 -0.002594 -0.000726 0.065489 -0.007566 -0.007668 0.065422 0.007140 -0.052105 -0.160208 0.040910 0.005203 -0.093643 -0.003892 -0.109864 -0.214215 -0.015423 0.041345 -0.071806 -0.016789 0.123188 -0.215113 0.005589 0.010842 0.126162 0.134580 0.106845 0.108545 -0.149612 0.119051 0.084936 -0.138391 0.023442 -0.173252 0.158151 0.016301 -0.168814 -0.011458 0.060545 0.178420 -0.007408 0.037620 -0.009090 -0.019608 -0.005926 0.059541 -0.018146 -0.001467 0.103577 0.013527 -0.006888 0.087367 -0.009390 -0.014481 0.110479 0.042482 -0.000823 -0.016921 -0.002098 0.030424 0.084067 0.001752 0.119879 -0.022458 -0.013594 0.030165 0.090619 0.009936 -0.232681 0.024694 0.026820 0.007924 0.126610 -0.064051 0.061124 0.026204 0.103097 -0.021309 -0.162812 0.006152 -0.008666 -0.223717 0.094136 -0.087528 -0.132193 -0.030035 -0.017055 0.400908 0.002101 0.103190 -0.064124 -0.005108 0.001266 0.072253 -0.008423 0.004088 0.116028 -0.006359 0.001285 0.071734 -0.003221 -0.006716 0.063956 0.003380 -0.118026 -0.129580 0.017652 0.036406 -0.070349 0.022530 -0.108948 -0.208819 -0.039956 0.005621 -0.100162 0.058094 0.129880 -0.223976 0.003136 -0.017942 0.124710 0.122354 0.120409 0.144539 -0.141451 0.126908 0.123085 -0.039025 0.121600 -0.187202 0.070985 0.117006 -0.185678 -0.002692 0.084299 0.190800 0.018612 0.034822 -0.007824 -0.345113 0.067907 -0.223837 -0.002284 -0.385455 0.259070 0.362005 -0.020978 -0.162191 0.055548 -0.157824 -0.653671 -0.039462 -0.274300 0.361234 -0.026701 -0.008393 0.085082 0.005936 0.000091 0.101537 0.010084 -0.007655 0.060903 -0.006981 -0.009142 0.099577 -0.037860 -0.018653 0.001804 -0.031191 0.057857 -0.026118 0.005422 0.010665 -0.183866 0.026456 0.060302 -0.023312 -0.000083 -0.147471 0.059059 0.003880 0.058346 -0.050322 0.078279 -0.002729 -0.026067 -0.014794 0.033103 0.092293 0.005654 0.011195 -0.097286 -0.008474 0.059562 -0.184402 -0.047284 -0.024442 0.044451 -0.024080 0.011643 0.178262 -0.006991 -0.003076 0.067270 -0.006171 -0.001203 0.099166 -0.002450 -0.001322 0.065284 -0.006854 -0.007446 0.066489 0.006965 -0.062827 -0.153806 0.058011 0.011005 -0.085150 -0.000022 -0.071251 -0.172953 -0.036762 0.043148 -0.059423 -0.005229 0.034717 -0.098329 0.005071 0.009426 0.077583 -0.005194 0.055026 0.078735 -0.014788 0.072866 0.077171 -0.035783 0.017918 -0.147092 0.055096 0.023775 -0.158863 -0.000489 0.004745 0.070878 -0.012691 0.008830 0.031093 -0.018476 -0.007338 0.060169 -0.017761 -0.001441 0.099698 0.014830 -0.007298 0.087887 -0.008821 -0.014889 0.110755 0.027480 -0.017823 0.007750 0.015836 0.042382 0.066299 0.005653 0.094155 -0.056545 -0.026201 0.040720 0.071605 0.004518 -0.126433 0.033765 0.024950 0.063796 -0.044183 0.016186 0.035308 0.098112 -0.069721 0.004616 -0.017534 0.031130 0.054374 -0.166213 0.010560 0.019789 -0.106750 0.043643 -0.019997 0.038129 0.029018 0.195420 -0.544261 -0.004055 0.001291 0.071736 -0.007674 0.004645 0.113963 -0.006022 0.001312 0.071235 -0.002697 -0.006469 0.064815 0.002815 -0.124500 -0.109108 0.040481 0.038932 -0.054583 0.015014 -0.071588 -0.165146 -0.055926 0.010112 -0.091129 0.031647 0.026558 -0.084214 0.008605 -0.018883 0.034887 -0.005206 0.088817 0.080016 -0.011119 0.093726 0.077672 0.004844 0.106596 -0.149701 0.014063 0.106231 -0.150741 0.004572 0.082605 0.092334 0.013887 0.005290 0.033782 -0.274876 0.066187 -0.051253 -0.007168 -0.373594 0.305658 0.276654 -0.019812 0.014791 0.007873 -0.283598 -0.128564 -0.058517 -0.307808 0.395219 -0.028443 -0.008234 0.085965 0.006143 0.001194 0.094541 0.007780 -0.010192 0.062860 -0.007449 -0.005786 0.100593 -0.012673 -0.045521 0.049250 -0.004316 0.060802 -0.028532 0.003084 -0.014507 -0.165313 0.000135 0.063517 -0.038755 -0.015292 -0.065939 0.026051 0.058836 0.148848 -0.422452 0.359523 0.027795 0.223678 -0.180115 -0.004332 0.178769 0.186704 0.221880 -0.001953 -0.056880 0.209135 -0.043804 -0.058285 -0.056557 -0.591865 -0.020583 -0.039912 -0.085160 -0.006765 -0.004029 0.067608 -0.006391 0.001208 0.093136 -0.004125 -0.002181 0.065281 -0.007290 -0.005818 0.068531 0.004765 -0.081167 -0.140763 0.087231 0.021335 -0.070730 0.004940 0.011421 -0.120994 -0.077889 0.045207 -0.039243 0.015326 -0.096745 0.123152 0.000834 0.020030 -0.026801 -0.267356 -0.052367 0.023408 0.277938 -0.040890 0.069043 0.151510 0.009457 -0.099495 -0.138808 0.033569 -0.134321 0.022435 -0.147942 -0.141674 -0.024723 -0.057772 0.126753 -0.017819 -0.009474 0.062190 -0.018671 -0.000597 0.091769 0.014954 -0.007193 0.089257 -0.009668 -0.015183 0.111188 -0.004130 -0.047307 0.049903 0.050507 0.066857 0.020277 0.013692 0.039094 -0.143624 -0.052842 0.062407 0.025270 -0.010405 0.093589 0.047611 0.028110 0.172514 -0.430317 0.179938 -0.014439 0.215092 -0.397984 0.025635 0.223071 0.053905 0.192409 -0.022635 -0.174057 0.241327 -0.039317 0.188033 -0.033386 -0.633686 0.124829 0.695653 -2.287431 -0.004281 0.001880 0.070911 -0.008197 0.006309 0.110171 -0.007034 0.001918 0.070684 -0.003843 -0.004746 0.066493 -0.000138 -0.133257 -0.068949 0.081152 0.041798 -0.029261 0.002474 0.006776 -0.106400 -0.086412 0.017894 -0.074789 -0.018636 -0.119570 0.166881 0.011784 -0.036085 -0.144153 -0.249993 0.014367 -0.047302 0.277453 0.004719 -0.013417 0.095422 0.069003 -0.039045 -0.088668 0.090799 -0.049445 0.018242 0.066192 -0.102942 -0.002984 -0.066050 0.136268 -0.157815 0.060106 0.397408 -0.042227 -0.406777 0.369519 0.099996 -0.034924 0.444884 -0.104801 -0.843886 1.680686 -0.049690 -0.333878 0.476416 -0.027526 -0.008471 0.085239 0.005736 0.000325 0.099618 0.009212 -0.008399 0.061378 -0.007429 -0.008265 0.099724 -0.031313 -0.026477 0.015656 -0.024068 0.058894 -0.026210 0.004463 0.003495 -0.178689 0.018871 0.061386 -0.027054 -0.003409 -0.130480 0.050577 0.020646 0.083076 -0.144339 0.156927 0.004904 0.045093 -0.059846 0.023988 0.118835 0.050221 0.061774 -0.074097 -0.023294 0.100827 -0.148407 -0.045367 -0.031779 -0.134727 -0.022751 -0.001811 0.103963 -0.007222 -0.003372 0.067260 -0.006540 -0.000658 0.097523 -0.003191 -0.001598 0.065175 -0.007287 -0.007147 0.067009 0.006038 -0.068242 -0.150320 0.066088 0.014034 -0.080954 0.001094 -0.049316 -0.154698 -0.048802 0.043937 -0.053342 -0.000337 -0.005670 -0.034115 0.003542 0.010997 0.045906 -0.075077 0.028025 0.060317 0.057629 0.045610 0.073920 0.015785 0.014908 -0.131800 0.001974 0.027681 -0.149306 0.003332 -0.027879 0.008453 -0.015454 -0.008404 0.055631 -0.018647 -0.007980 0.060631 -0.018367 -0.001276 0.097443 0.014626 -0.007383 0.088129 -0.009368 -0.015004 0.110851 0.018479 -0.026428 0.020153 0.024943 0.049001 0.054952 0.007221 0.079597 -0.077887 -0.033868 0.046584 0.059901 0.001039 -0.067825 0.038791 0.023772 0.095857 -0.145216 0.060324 0.020883 0.134979 -0.163807 0.014838 0.053433 0.040306 0.090151 -0.123737 -0.037346 0.081572 -0.088408 0.077565 -0.021835 -0.156826 0.047485 0.283881 -0.902406 -0.004387 0.001418 0.071417 -0.008128 0.005075 0.112852 -0.006647 0.001433 0.070952 -0.003280 -0.006132 0.065247 0.001684 -0.127409 -0.098070 0.051698 0.039996 -0.046887 0.010669 -0.050593 -0.145327 -0.065039 0.012434 -0.086508 0.017332 -0.017856 -0.012563 0.009173 -0.022653 -0.012084 -0.069794 0.068961 0.044002 0.062823 0.073048 0.054058 0.025760 0.099476 -0.126945 -0.011859 0.103778 -0.129604 0.009003 0.081034 0.039247 0.008544 -0.013540 0.058965 -0.232201 0.077774 0.062805 -0.012900 -0.390993 0.344618 0.225050 -0.032034 0.121397 -0.003425 -0.399284 0.220871 -0.051077 -0.314459 0.433558 -0.026926 -0.008282 0.085404 0.006717 0.000562 0.098480 0.009515 -0.008612 0.062224 -0.006703 -0.007750 0.100512 -0.021224 -0.022315 0.016463 -0.015754 0.054677 -0.019660 0.004203 0.002219 -0.149260 0.012350 0.056950 -0.021873 -0.004608 -0.064995 0.025353 0.023310 0.068667 -0.164165 0.130676 -0.003862 0.028298 -0.036698 0.020163 0.088310 0.045533 0.083706 -0.024784 -0.024625 0.096536 -0.093909 -0.019627 -0.013926 -0.149098 -0.013264 -0.003461 0.094841 -0.006390 -0.003882 0.068060 -0.005736 -0.000369 0.096650 -0.002632 -0.002032 0.065990 -0.006674 -0.006678 0.067835 0.005919 -0.067323 -0.130441 0.067376 0.012736 -0.081881 0.002356 -0.034630 -0.140651 -0.048995 0.042881 -0.054438 0.007845 -0.012684 -0.006724 0.003859 0.010443 0.012220 -0.095287 0.002609 0.032378 0.087936 0.010223 0.042126 0.045774 0.008537 -0.086510 -0.032478 0.019328 -0.105411 -0.005835 -0.074174 0.120736 -0.012990 0.014301 0.065595 -0.017534 -0.008051 0.061499 -0.017740 -0.001216 0.096203 0.015457 -0.007144 0.088510 -0.008641 -0.015298 0.110955 0.010862 -0.022110 0.019938 0.032751 0.050944 0.046043 0.006838 0.067929 -0.066994 -0.038587 0.048472 0.049082 0.003007 -0.003103 0.017510 0.019438 0.077464 -0.164199 0.041105 0.013406 0.101462 -0.132183 0.002204 0.033268 0.033924 0.091312 -0.071789 -0.038572 0.095836 -0.035883 0.045022 -0.004475 -0.158373 0.029275 0.181235 -0.633681 -0.003209 0.001440 0.071297 -0.007334 0.004874 0.112017 -0.006335 0.001448 0.070844 -0.002473 -0.005615 0.065912 0.001252 -0.125460 -0.074795 0.054714 0.039133 -0.047545 0.008595 -0.035446 -0.132545 -0.064342 0.010338 -0.086364 0.004928 -0.021450 0.010319 0.012861 -0.004069 -0.078432 -0.083835 0.043568 0.010150 0.084028 0.044813 0.019335 0.037788 0.092834 -0.072585 -0.021252 0.098788 -0.076450 -0.004614 0.040092 0.167081 0.007357 0.008688 0.068900 -0.194837 0.064099 0.054109 -0.015918 -0.336492 0.158525 0.175539 -0.023167 0.119085 0.005628 -0.348032 -0.022921 -0.039887 -0.287352 0.227842 -0.028159 -0.007371 0.085200 0.006291 0.001330 0.094462 0.006861 -0.008854 0.063811 -0.007786 -0.006000 0.102279 0.004247 -0.011024 0.014505 0.004743 0.042238 -0.003580 0.000400 -0.000655 -0.070462 -0.009169 0.044057 -0.008895 -0.009962 0.122277 -0.048627 0.026581 0.024221 -0.234941 0.077431 -0.033104 -0.032312 0.019492 0.021220 -0.010711 0.027440 0.148830 0.115382 -0.022337 0.075241 0.069791 0.051790 0.031320 -0.186645 0.003313 -0.002513 0.073809 -0.007288 -0.005038 0.069986 -0.006700 0.000635 0.093912 -0.004266 -0.003016 0.067811 -0.008045 -0.005157 0.069698 0.002440 -0.063510 -0.075764 0.067573 0.009286 -0.084565 0.002807 0.008708 -0.108690 -0.052876 0.040276 -0.057487 0.024829 -0.031662 0.067749 0.004452 0.006522 -0.096907 -0.155220 -0.073245 -0.053116 0.173709 -0.082399 -0.041004 0.126678 -0.015681 0.043108 -0.130422 -0.007935 0.019913 -0.025580 -0.211848 0.403950 -0.006430 0.076163 0.098211 -0.017208 -0.007948 0.063479 -0.019112 -0.000935 0.091810 0.014357 -0.006262 0.088898 -0.009818 -0.015972 0.110418 -0.013431 -0.010251 0.015808 0.052774 0.055818 0.017925 0.002734 0.037008 -0.039830 -0.055949 0.053284 0.015757 0.003690 0.186286 -0.047508 0.007416 0.029287 -0.230084 -0.010000 0.005994 -0.001846 -0.063899 -0.029996 -0.035585 0.014086 0.097598 0.071314 -0.038973 0.145145 0.112278 -0.051192 0.043767 -0.149437 -0.007976 -0.115728 0.063378 -0.003253 0.001917 0.070991 -0.008285 0.004260 0.108862 -0.008499 0.001876 0.070535 -0.003414 -0.003905 0.067348 -0.003004 -0.118801 -0.011749 0.060260 0.037037 -0.049422 0.000725 0.009432 -0.104266 -0.065215 0.004683 -0.085907 -0.031009 -0.027984 0.073283 0.023096 0.091900 -0.347650 -0.125189 -0.028290 -0.097488 0.147357 -0.036865 -0.083936 0.055786 0.062467 0.108318 -0.049039 0.069573 0.096561 -0.038534 -0.082376 0.473334 0.001435 0.077547 0.095398 -0.028761 0.101846 0.087131 0.032825 -0.215771 -0.258180 0.025887 -0.026198 0.056266 0.047657 -0.285624 -0.591652 0.004837 -0.187132 -0.264417 -0.027522 -0.007502 0.083649 0.006905 0.002115 0.093316 0.007446 -0.009031 0.062328 -0.007078 -0.005710 0.101770 0.019858 0.003245 -0.012226 0.010458 0.038674 -0.005633 0.001405 0.006858 -0.058029 -0.011949 0.039693 -0.008644 -0.007864 0.076272 0.038882 0.015155 -0.009857 -0.130437 0.010573 -0.019678 -0.061595 0.047575 0.022152 -0.052094 0.013909 0.087336 0.107783 -0.015544 0.035808 0.091299 0.101457 0.061597 -0.084739 0.006488 0.002648 0.039667 -0.006392 -0.005753 0.069918 -0.005978 0.000925 0.093177 -0.003843 -0.003545 0.067588 -0.007383 -0.004347 0.067657 0.002024 -0.055711 -0.056584 0.059148 0.001355 -0.099077 0.004614 0.011698 -0.119401 -0.042036 0.038443 -0.073758 0.015501 -0.026554 0.073918 0.004284 0.002659 -0.107927 -0.073421 -0.041508 -0.013676 0.084150 -0.049764 -0.015087 0.094058 -0.039659 0.072663 -0.095600 -0.028950 0.058243 -0.011595 -0.069638 0.164802 -0.006972 0.111102 0.044208 -0.016214 -0.007934 0.062195 -0.018344 -0.000457 0.090642 0.015098 -0.006312 0.087564 -0.009104 -0.016422 0.108671 -0.022995 0.004523 -0.011088 0.050486 0.055462 -0.006549 0.003003 0.033677 -0.040861 -0.049634 0.053102 -0.009375 0.000887 0.120767 0.034000 -0.000537 -0.003802 -0.128047 -0.031307 0.011205 -0.049126 -0.002641 -0.018919 -0.060175 0.008330 0.051571 0.088405 -0.024892 0.090717 0.110074 -0.096375 0.074520 -0.069625 -0.007882 -0.090228 0.087621 -0.001985 0.002076 0.069100 -0.007685 0.003107 0.108542 -0.008302 0.001954 0.068586 -0.002574 -0.002971 0.065056 -0.002457 -0.106130 -0.007227 0.054582 0.035160 -0.066233 0.002018 0.013995 -0.116351 -0.054760 -0.004474 -0.098444 -0.025166 -0.022700 0.077602 0.022391 0.107709 -0.313673 -0.047002 -0.001539 -0.041934 0.058805 -0.010941 -0.037121 0.040955 0.010922 0.099906 -0.037949 0.017490 0.088283 -0.015555 0.002670 0.194733 0.007939 0.115165 0.041217 0.007089 0.103001 0.044987 0.020257 -0.189118 -0.170412 -0.027944 -0.025968 0.019563 0.049486 -0.356461 -0.575149 -0.011857 -0.209788 -0.177316 -0.027456 -0.008553 0.082413 0.006889 0.002896 0.092701 0.006849 -0.010067 0.061100 -0.006968 -0.005713 0.102705 0.052099 0.035668 -0.074920 0.020782 0.030254 -0.008307 0.001939 0.021545 -0.031851 -0.018837 0.029843 -0.006361 -0.004405 0.009115 0.182621 -0.009449 -0.066461 0.084398 -0.104976 -0.000908 -0.120226 0.099755 0.022820 -0.146089 -0.012041 -0.030936 0.104395 0.002804 -0.049385 0.141493 0.198907 0.129408 0.128286 0.007645 0.011521 -0.007177 -0.005836 -0.007962 0.071876 -0.005781 0.000786 0.093731 -0.004466 -0.005318 0.069157 -0.007363 -0.003265 0.065455 -0.000093 -0.040880 -0.017018 0.038767 -0.017094 -0.130046 0.006703 0.017134 -0.140336 -0.019420 0.033216 -0.107483 -0.000681 -0.016207 0.088606 0.003348 -0.001032 -0.140357 0.084686 0.017809 0.046903 -0.077362 0.010205 0.026443 0.015157 -0.082144 0.133854 -0.025064 -0.070221 0.143903 0.017539 0.209465 -0.262945 -0.010396 0.169024 -0.053383 -0.015099 -0.008636 0.061509 -0.018204 -0.000255 0.089918 0.015106 -0.007188 0.086741 -0.009077 -0.017949 0.106576 -0.044208 0.038065 -0.073398 0.042603 0.052813 -0.057519 0.002185 0.026359 -0.041324 -0.035829 0.050765 -0.061856 -0.001634 0.019902 0.164815 -0.028828 -0.074828 0.079719 -0.075566 0.026449 -0.150164 0.108522 -0.001758 -0.118000 -0.019405 -0.051299 0.137781 -0.000942 -0.023950 0.113150 -0.189307 0.138165 0.092261 -0.003025 -0.049998 0.168786 -0.000763 0.001635 0.067608 -0.007717 -0.000177 0.109858 -0.009308 0.001359 0.067005 -0.002295 -0.001622 0.062292 -0.002392 -0.078120 -0.001242 0.040484 0.030037 -0.100677 0.003644 0.022676 -0.140224 -0.032826 -0.025321 -0.125188 -0.016526 -0.011241 0.085105 0.015952 0.152041 -0.251513 0.097696 0.032832 0.041214 -0.093204 0.034324 0.030959 0.007837 -0.087642 0.077756 -0.014810 -0.081946 0.062986 0.021075 0.195837 -0.281142 0.017732 0.180836 -0.055129 0.049384 0.105386 -0.080472 0.017432 -0.196628 -0.005130 -0.070745 -0.009345 -0.075621 0.046644 -0.437448 -0.555645 -0.017867 -0.278694 -0.005334 -0.027858 -0.008987 0.082513 0.006452 0.004524 0.092656 0.006037 -0.010383 0.060277 -0.006931 -0.004825 0.101228 0.067221 0.036082 -0.103307 0.013556 0.038337 -0.030480 0.003113 0.003766 -0.037192 -0.008654 0.037059 -0.023406 -0.005744 0.017624 0.112620 -0.015904 -0.025998 0.148024 -0.064272 0.027768 -0.008214 0.018200 -0.022359 -0.085069 0.031738 -0.004709 0.084424 -0.003907 -0.004994 0.108897 0.110538 0.067349 0.003288 0.014202 -0.008064 -0.094907 -0.006130 -0.008455 0.072589 -0.005916 0.003100 0.094526 -0.004724 -0.005423 0.069411 -0.007699 -0.000982 0.065185 -0.000960 -0.025527 -0.010165 0.020204 -0.019073 -0.120570 0.006801 0.019575 -0.119087 -0.006014 0.040979 -0.098714 -0.012762 0.009925 0.068257 0.002655 0.028250 -0.070219 0.078712 0.003850 0.043127 -0.074100 0.000445 0.027171 -0.006783 0.004122 0.125407 -0.008540 0.008649 0.139209 0.012364 0.147372 -0.201378 -0.003785 0.070264 -0.074586 -0.014572 -0.008658 0.061070 -0.018424 0.000969 0.089797 0.014782 -0.007473 0.087120 -0.009256 -0.017638 0.102564 -0.055849 0.039038 -0.102191 0.020447 0.058780 -0.105905 0.002571 -0.001160 -0.059956 -0.008826 0.056278 -0.107798 -0.002337 0.024979 0.106285 -0.023480 -0.029942 0.142349 -0.010803 -0.009915 -0.091478 0.056283 0.021657 -0.009032 -0.007891 -0.012666 0.112986 -0.035815 -0.006366 0.082837 -0.100210 0.080684 -0.004336 0.016398 0.125539 -0.122765 -0.000688 0.002212 0.065928 -0.008206 -0.000776 0.113603 -0.009840 0.001871 0.065533 -0.002663 0.000999 0.061663 -0.000189 -0.043327 -0.033215 0.027051 0.036383 -0.096174 0.002448 0.026923 -0.118354 -0.017062 -0.028162 -0.109875 -0.000358 0.014273 0.065351 0.000845 0.074409 -0.024654 0.074274 0.017677 0.046645 -0.067785 0.014803 0.038445 0.007415 -0.050375 0.047209 -0.012950 -0.050693 0.032524 0.010035 0.104176 -0.214934 0.013126 0.080886 -0.072584 0.064778 0.093897 0.047131 0.044688 -0.149409 -0.138040 -0.090720 -0.053922 0.029164 0.027090 -0.562444 -0.288027 -0.005421 -0.262765 -0.120400 -0.028397 -0.012108 0.083205 0.005867 0.005519 0.092484 0.002730 -0.013004 0.059118 -0.006667 -0.004231 0.097943 0.108221 0.034128 -0.176679 -0.005568 0.056438 -0.088505 0.006796 -0.041536 -0.053104 0.018388 0.052073 -0.068197 0.001099 0.039778 -0.059696 -0.025183 0.062438 0.291260 0.023098 0.081452 0.262360 -0.192790 -0.130083 0.052681 0.250362 -0.041484 -0.102925 -0.014974 0.111204 0.039248 -0.066567 -0.089301 -0.269241 0.028702 -0.069388 -0.278753 -0.005681 -0.011493 0.073951 -0.005932 0.006702 0.097865 -0.005984 -0.007490 0.069545 -0.008235 0.003101 0.065005 -0.002395 0.010884 0.001636 -0.019869 -0.027313 -0.103591 0.006264 0.024191 -0.068459 0.024044 0.056430 -0.082805 -0.044469 0.071673 0.014917 0.000310 0.110500 0.092773 0.068369 -0.026138 0.043540 -0.062858 -0.023184 0.036470 -0.041741 0.198836 0.099576 0.024442 0.198785 0.119562 -0.000446 -0.042370 -0.068753 0.011462 -0.156392 -0.116771 -0.011527 -0.010517 0.060956 -0.018968 0.000975 0.089119 0.013916 -0.010258 0.088409 -0.009309 -0.018037 0.091095 -0.086966 0.038467 -0.176667 -0.045379 0.065346 -0.241959 0.004639 -0.069235 -0.121198 0.072036 0.061372 -0.237351 0.001053 0.034221 -0.037144 -0.003542 0.066043 0.281537 0.162019 -0.101315 0.047080 -0.053518 0.066676 0.241593 0.007644 0.094972 0.058857 -0.223471 -0.051894 -0.133643 0.095116 -0.049238 -0.213990 0.047003 0.657388 -0.778603 0.000986 0.000369 0.062993 -0.009198 -0.003718 0.122811 -0.012284 -0.000160 0.062850 -0.003434 0.005839 0.060686 0.008116 0.074050 -0.158316 -0.002674 0.048858 -0.089148 0.000337 0.035222 -0.066356 0.017287 -0.037970 -0.079468 0.042726 0.073556 0.016132 -0.032323 -0.108849 0.532176 0.015305 -0.026479 0.058695 -0.006229 -0.033347 0.049945 -0.003650 0.021516 0.001193 -0.007770 0.009894 -0.016348 0.000592 -0.132759 -0.055623 -0.005700 -0.150105 -0.107844 0.010835 0.025905 0.286051 0.078328 0.062759 -0.367951 -0.090705 -0.128035 0.262838 -0.004544 -0.745253 0.665485 0.010855 -0.194874 -0.414549 -0.027342 -0.011423 0.082652 0.006946 0.005056 0.092251 0.004918 -0.012523 0.059056 -0.005833 -0.004789 0.098644 0.095607 0.034562 -0.153229 0.001662 0.050314 -0.069844 0.006457 -0.027534 -0.047913 0.010460 0.047076 -0.053827 0.001801 0.033199 -0.005541 -0.022139 0.034790 0.248216 -0.002645 0.062446 0.178346 -0.126743 -0.094761 0.010706 0.152049 -0.009116 -0.009489 -0.011361 0.072389 0.058957 -0.013327 -0.038897 -0.187219 0.027203 -0.048538 -0.226392 -0.005030 -0.010924 0.073276 -0.005020 0.005265 0.096293 -0.004534 -0.007239 0.069296 -0.007139 0.001421 0.064668 -0.001083 -0.001097 -0.001619 -0.006966 -0.024902 -0.108487 0.007512 0.022279 -0.084601 0.015818 0.051454 -0.087310 -0.033607 0.051829 0.031593 0.002199 0.083358 0.043052 0.073282 -0.018755 0.043199 -0.065897 -0.015671 0.032354 -0.030851 0.137316 0.108818 0.016950 0.138757 0.126445 0.004003 0.024774 -0.105947 0.005701 -0.086940 -0.105601 -0.011787 -0.010280 0.060523 -0.017839 0.000837 0.089091 0.015167 -0.009701 0.087662 -0.008374 -0.018426 0.094686 -0.075779 0.038450 -0.152804 -0.021734 0.063997 -0.196328 0.004758 -0.048022 -0.099759 0.044975 0.060589 -0.193809 0.001038 0.029700 0.008768 -0.008675 0.035909 0.236950 0.108916 -0.072538 0.004898 -0.018083 0.051573 0.163860 0.004427 0.058032 0.074937 -0.139442 -0.016875 -0.027032 0.035086 -0.010309 -0.154293 0.038374 0.480687 -0.589199 0.001201 0.000830 0.063481 -0.007961 -0.003242 0.119633 -0.010374 0.000363 0.063277 -0.002265 0.003910 0.060530 0.005966 0.030485 -0.110892 0.007284 0.044757 -0.091050 0.001838 0.032255 -0.082924 0.007949 -0.035145 -0.088502 0.029729 0.054747 0.032157 -0.022441 -0.051657 0.348696 0.033338 -0.011256 0.054157 -0.025339 -0.016752 0.046580 0.003115 0.001651 0.011371 -0.008438 -0.006637 -0.004186 -0.001682 -0.050721 -0.100834 0.001459 -0.084120 -0.097844 0.014039 0.072510 0.217973 0.069035 -0.001421 -0.285835 -0.108037 -0.099295 0.194117 -0.007801 -0.730863 0.292228 0.005306 -0.227199 -0.321085 -0.027843 -0.012815 0.084683 0.006749 0.005627 0.092936 0.003645 -0.013542 0.059516 -0.005819 -0.004785 0.099239 0.097749 0.025290 -0.154117 -0.005322 0.053723 -0.075067 0.006473 -0.038481 -0.047284 0.018570 0.050822 -0.057560 0.001893 0.046154 -0.059600 -0.026199 0.050884 0.210688 0.023844 0.048947 0.166649 -0.131338 -0.091853 0.028776 0.168885 -0.005116 -0.054541 0.004863 0.081793 0.055417 -0.025013 -0.064216 -0.104510 0.021749 -0.038013 -0.227349 -0.004864 -0.012015 0.074059 -0.005009 0.005742 0.098339 -0.005082 -0.007904 0.069574 -0.007296 0.002440 0.066834 -0.001278 0.009430 0.000666 -0.009260 -0.022972 -0.085626 0.007257 0.025735 -0.062737 0.014002 0.058667 -0.064896 -0.021012 0.074624 0.001347 0.001302 0.060136 0.088793 0.046530 -0.014020 0.021864 -0.037502 -0.013821 0.016042 -0.041625 0.147014 0.098136 0.024010 0.147772 0.109498 0.002290 -0.004317 -0.083764 0.019971 -0.137887 -0.087715 -0.010773 -0.011002 0.061394 -0.018138 0.000967 0.089388 0.014991 -0.010946 0.089882 -0.008562 -0.018294 0.093007 -0.078189 0.030126 -0.154546 -0.032988 0.066162 -0.210522 0.005032 -0.060533 -0.098247 0.057808 0.061906 -0.207317 0.002986 0.027550 -0.031594 0.004615 0.054969 0.206922 0.112048 -0.072848 0.026328 -0.045178 0.037218 0.152508 -0.009018 0.074551 0.070624 -0.144768 -0.011107 -0.071145 0.041750 -0.040787 -0.074014 0.015571 0.328765 -0.312165 0.001973 -0.000368 0.064006 -0.008370 -0.004522 0.123538 -0.011600 -0.000899 0.063944 -0.002921 0.005207 0.062351 0.007010 0.052054 -0.126432 0.006378 0.050680 -0.070809 0.001075 0.036532 -0.060657 0.007227 -0.034163 -0.064049 0.024210 0.074747 0.004501 -0.025175 -0.038459 0.349972 0.007557 -0.015633 0.029428 0.005205 -0.022887 0.021057 -0.023619 0.029094 0.027402 0.012978 0.020185 0.015761 0.003348 -0.089963 -0.071367 -0.014331 -0.133740 -0.083086 -0.039070 0.032561 0.142675 0.078680 0.041542 -0.322102 -0.037996 -0.101773 0.115296 -0.003522 -0.582069 0.251629 -0.011539 -0.187864 -0.381849 -0.029148 -0.015258 0.087342 0.005845 0.006860 0.091675 -0.000161 -0.014964 0.058119 -0.006101 -0.003921 0.097921 0.103078 0.003673 -0.159405 -0.023209 0.063363 -0.092298 0.006308 -0.065072 -0.049513 0.038810 0.061276 -0.071349 0.006939 0.079200 -0.214709 -0.029210 0.092147 0.102644 0.105313 -0.000092 0.119076 -0.145300 -0.080122 0.073835 0.460279 -0.103651 -0.468958 0.047303 0.105801 0.042856 -0.073555 -0.124867 0.105148 0.006357 -0.012642 -0.229232 -0.004030 -0.012930 0.072823 -0.005216 0.006958 0.101597 -0.007478 -0.007564 0.067085 -0.007680 0.005453 0.070038 -0.001790 0.036758 -0.000027 -0.013722 -0.016159 -0.032149 0.005604 0.036024 -0.013251 0.009337 0.075707 -0.014840 0.005689 0.137986 -0.086933 -0.002815 0.003011 0.198095 -0.020885 -0.003551 -0.036689 0.028290 -0.003235 -0.026027 -0.073697 0.170395 0.057709 0.045900 0.174952 0.066370 -0.002822 -0.095785 -0.035273 0.062815 -0.279702 -0.041593 -0.008236 -0.011689 0.060825 -0.019114 0.000966 0.087269 0.013950 -0.012966 0.092831 -0.009205 -0.015793 0.085398 -0.084578 0.010828 -0.162208 -0.061556 0.071766 -0.251372 0.005635 -0.091551 -0.099562 0.090265 0.065408 -0.246736 0.003226 0.026150 -0.134740 0.033757 0.105305 0.109335 0.120557 -0.070558 0.081546 -0.121965 -0.008081 0.108700 -0.043222 0.109775 0.059542 -0.353878 -0.082817 -0.472115 0.067566 -0.132366 0.126695 -0.018445 -0.086173 0.294643 0.004126 -0.003013 0.063073 -0.009680 -0.005326 0.129018 -0.015402 -0.003867 0.063489 -0.005226 0.008903 0.064966 0.009950 0.116253 -0.180626 0.003905 0.065021 -0.025159 -0.000584 0.048442 -0.010078 0.003635 -0.029305 -0.007044 0.015958 0.134170 -0.080117 -0.022655 0.025508 0.302255 -0.059527 -0.034753 -0.035077 0.073612 -0.033714 -0.037492 -0.090833 0.102751 0.075975 0.076649 0.085494 0.078017 0.000685 -0.192125 -0.003575 -0.066975 -0.282569 -0.044168 -0.169774 -0.073911 -0.017216 0.129349 0.199218 -0.340444 0.072299 -0.151140 -0.026013 -0.073809 0.098788 0.953186 0.018492 -0.173077 -0.503104 -0.028701 -0.013905 0.084779 0.006162 0.006397 0.091429 0.001812 -0.014212 0.057859 -0.006162 -0.004381 0.097672 0.099837 0.015698 -0.157442 -0.013360 0.057903 -0.083436 0.006161 -0.050097 -0.049107 0.027174 0.055357 -0.064346 0.003549 0.060466 -0.125623 -0.028684 0.067619 0.164933 0.059427 0.028876 0.147501 -0.137505 -0.086630 0.047982 0.237799 -0.024465 -0.169714 0.022053 0.090201 0.048181 -0.048153 -0.089008 -0.013800 0.015827 -0.025802 -0.229205 -0.004834 -0.012590 0.072641 -0.005326 0.006439 0.098598 -0.006241 -0.007981 0.067540 -0.007743 0.003875 0.067133 -0.001773 0.021413 -0.000011 -0.011688 -0.020198 -0.063143 0.006406 0.030135 -0.041661 0.011666 0.066494 -0.043409 -0.008451 0.100538 -0.037004 -0.000382 0.034623 0.135501 0.015492 -0.010463 -0.005513 -0.009333 -0.011138 -0.003688 -0.056511 0.157505 0.080737 0.032453 0.160278 0.092091 -0.000959 -0.038944 -0.062034 0.033255 -0.193825 -0.071940 -0.009927 -0.011338 0.060112 -0.018793 0.001213 0.087496 0.014380 -0.011865 0.090106 -0.009113 -0.017406 0.088798 -0.081218 0.021553 -0.158869 -0.045707 0.068766 -0.228874 0.005026 -0.073973 -0.099493 0.071666 0.063593 -0.225042 0.000645 0.028614 -0.078751 0.016947 0.076905 0.166305 0.115619 -0.071647 0.048112 -0.078184 0.019611 0.135501 -0.022809 0.090356 0.066823 -0.192810 -0.024152 -0.186835 0.053932 -0.079925 0.014377 0.001327 0.145725 -0.040225 0.002615 -0.001457 0.062519 -0.009166 -0.005139 0.125211 -0.013428 -0.002079 0.062638 -0.004109 0.006928 0.062364 0.007967 0.078322 -0.148793 0.005092 0.057250 -0.051438 0.000038 0.041714 -0.039075 0.005677 -0.032304 -0.039946 0.021697 0.099611 -0.030801 -0.022375 -0.018750 0.342579 -0.019774 -0.028651 -0.003128 0.032801 -0.027971 -0.004907 -0.051293 0.060543 0.046555 0.038896 0.049164 0.041205 0.002303 -0.133611 -0.042843 -0.035135 -0.195768 -0.067937 -0.101598 -0.009155 0.105801 0.095063 0.102524 -0.323963 0.009490 -0.111000 0.043974 -0.003407 -0.309775 0.405425 0.014401 -0.206605 -0.418479 -0.029411 -0.013786 0.086078 0.006106 0.007400 0.091660 0.001855 -0.013823 0.058290 -0.006521 -0.004392 0.099936 0.092294 0.011250 -0.144000 -0.010194 0.055008 -0.065502 0.004519 -0.041072 -0.041578 0.022107 0.053801 -0.049096 0.002955 0.047195 -0.095259 -0.011520 0.032852 0.095168 0.020227 0.035876 0.073645 -0.068943 -0.039987 0.017209 0.095357 -0.003974 -0.079286 0.046219 0.028723 0.058579 -0.023495 -0.028102 0.045394 0.006248 0.012909 -0.188225 -0.005215 -0.012158 0.072846 -0.005431 0.006019 0.098861 -0.006489 -0.007326 0.067813 -0.007909 0.003959 0.068569 -0.002200 0.016340 0.005369 -0.001331 -0.017114 -0.054546 0.005957 0.034463 -0.049404 0.000931 0.069241 -0.032561 0.003684 0.067736 -0.008448 -0.000726 -0.004139 0.106724 0.018457 0.008046 -0.019440 -0.011261 0.008206 -0.019604 -0.053011 0.087046 0.066631 0.033790 0.090584 0.076318 0.000929 0.052787 -0.125686 0.041177 -0.133739 -0.052971 -0.010579 -0.010938 0.060648 -0.019235 0.002071 0.087533 0.014405 -0.011658 0.091390 -0.009635 -0.016885 0.091433 -0.076126 0.017564 -0.145529 -0.031833 0.069969 -0.194806 0.004058 -0.058550 -0.080112 0.053387 0.064806 -0.193081 0.001068 0.010691 -0.036694 0.003036 0.037396 0.100474 0.057514 -0.032490 0.020068 -0.037801 0.031762 0.071825 -0.044033 0.030633 0.066975 -0.068054 -0.006808 -0.085955 0.032644 -0.029618 0.043561 -0.008184 -0.019710 0.146685 0.002235 -0.001145 0.063592 -0.009426 -0.004966 0.125233 -0.013655 -0.001760 0.063859 -0.004815 0.007134 0.063608 0.005818 0.057456 -0.118506 0.014106 0.060097 -0.039404 0.001590 0.046271 -0.047461 -0.006106 -0.029521 -0.034092 0.002901 0.062580 -0.002660 -0.016355 0.018226 0.183276 -0.004701 -0.008060 -0.019911 0.018116 -0.006571 -0.022478 -0.053078 0.027584 0.057669 0.039458 0.018656 0.054844 0.008839 -0.032739 -0.114161 -0.041748 -0.133974 -0.050972 -0.070528 0.008031 0.034450 0.098586 0.057405 -0.226575 -0.012403 -0.107247 0.002914 0.020856 -0.283599 0.161201 0.000523 -0.241922 -0.342324 -0.030370 -0.014040 0.087740 0.006171 0.008648 0.091547 0.002125 -0.013664 0.058622 -0.006917 -0.004877 0.103322 0.080057 0.003682 -0.122597 -0.005249 0.049843 -0.036882 0.002056 -0.026505 -0.030080 0.014387 0.050771 -0.024670 0.006545 0.023710 -0.045197 0.024106 -0.035217 -0.034291 -0.044496 0.053072 -0.054334 0.046496 0.041044 -0.036227 -0.127877 0.017636 0.070616 0.089609 -0.074907 0.074491 0.018251 0.070173 0.148435 -0.008234 0.081645 -0.116334 -0.005750 -0.011883 0.072787 -0.005390 0.004901 0.098969 -0.006627 -0.006667 0.067837 -0.007982 0.003692 0.070527 -0.002681 0.007699 0.013709 0.015608 -0.012854 -0.041839 0.005432 0.041503 -0.063196 -0.015892 0.072880 -0.016141 0.020710 0.007296 0.037653 -0.002354 -0.067591 0.058277 0.023690 0.039898 -0.044249 -0.015057 0.039960 -0.047365 -0.046971 -0.034478 0.046790 0.031305 -0.037009 0.042751 0.003657 0.217977 -0.243457 0.047271 -0.026196 -0.023606 -0.011458 -0.010728 0.061169 -0.019719 0.003047 0.087088 0.014629 -0.011779 0.092963 -0.010309 -0.016468 0.095334 -0.067443 0.010729 -0.124202 -0.010927 0.070484 -0.142071 0.002763 -0.033568 -0.051050 0.026004 0.065315 -0.143559 0.004874 -0.016054 0.025599 -0.027224 -0.037595 -0.018232 -0.038706 0.036277 -0.030092 0.034868 0.055456 -0.037659 -0.085168 -0.066553 0.070350 0.116614 0.015364 0.083559 -0.003972 0.058721 0.095628 -0.021783 -0.271120 0.424296 0.001739 -0.001114 0.064945 -0.009655 -0.005065 0.124723 -0.013753 -0.001717 0.065466 -0.005802 0.007047 0.065239 0.002653 0.025650 -0.071972 0.028606 0.063902 -0.021167 0.004441 0.053716 -0.062419 -0.024971 -0.025740 -0.025881 -0.024110 0.004118 0.047707 -0.000500 0.093133 -0.089280 0.021727 0.029984 -0.048219 -0.007612 0.028186 -0.051942 -0.054641 -0.032576 0.072577 0.039399 -0.036862 0.078024 0.017729 0.144368 -0.244405 -0.048899 -0.030680 -0.025561 -0.045340 0.017808 -0.066621 0.104467 -0.000182 -0.045945 -0.014374 -0.112871 -0.057524 0.027878 -0.252177 -0.184424 -0.007656 -0.290598 -0.176052 -0.031242 -0.014907 0.087547 0.006262 0.009811 0.090788 0.002801 -0.014044 0.057967 -0.007185 -0.005665 0.105008 0.074402 0.000925 -0.111532 -0.003777 0.053724 -0.026584 0.001354 -0.024995 -0.029485 0.012034 0.054888 -0.014392 0.005743 0.040441 -0.036407 0.024777 -0.027482 -0.053115 -0.055275 0.064119 -0.034805 0.046641 0.046268 -0.024263 -0.096015 0.002254 0.061261 0.042623 -0.064020 0.040050 0.012350 0.067840 0.066047 -0.003823 0.084435 -0.076229 -0.006522 -0.012107 0.071920 -0.005273 0.004848 0.097529 -0.006507 -0.006439 0.067135 -0.008028 0.003799 0.070552 -0.003020 -0.004459 0.017610 0.025023 -0.009135 -0.049089 0.004002 0.039872 -0.070741 -0.020873 0.079379 -0.018461 0.015901 -0.023886 0.059709 -0.003557 -0.041432 0.019877 0.014016 0.027154 -0.045201 -0.004459 0.026250 -0.050817 -0.005957 -0.041614 0.028219 -0.000899 -0.048847 0.016752 0.004919 0.154305 -0.195269 0.025863 0.047829 -0.010057 -0.012573 -0.010960 0.060894 -0.020390 0.003843 0.085889 0.014777 -0.012613 0.093147 -0.010753 -0.015963 0.095480 -0.063972 0.007678 -0.110672 -0.007896 0.075405 -0.125315 0.001723 -0.020628 -0.051325 0.019969 0.070729 -0.128394 0.006677 0.007649 0.018304 -0.025154 -0.028901 -0.043436 -0.043820 0.036299 -0.021848 0.053415 0.062610 -0.024371 -0.036625 -0.056400 0.054977 0.086425 -0.000139 0.072267 -0.010744 0.070756 0.043012 -0.013433 -0.197256 0.299733 0.001271 -0.001261 0.064749 -0.009933 -0.004624 0.123689 -0.013805 -0.001937 0.065614 -0.006607 0.007491 0.065007 0.002227 0.017497 -0.072146 0.034498 0.070263 -0.022263 0.007376 0.053473 -0.072034 -0.035427 -0.021977 -0.033054 -0.027029 -0.016015 0.064687 0.000998 0.016829 -0.047092 0.014100 0.018254 -0.048017 -0.006278 0.014876 -0.050042 -0.003630 -0.064524 0.059133 -0.011797 -0.063238 0.055630 0.017288 0.118185 -0.212393 -0.022754 0.042700 -0.010598 -0.024804 0.034728 -0.007257 0.110491 -0.018331 -0.050027 -0.040046 -0.135911 -0.028444 0.036364 -0.217056 -0.162320 -0.016426 -0.310646 -0.112688 -0.032166 -0.017338 0.087687 0.007884 0.013187 0.089223 0.006480 -0.015431 0.057068 -0.006476 -0.008045 0.110679 0.059265 -0.006784 -0.079044 0.000784 0.064871 0.002501 0.000745 -0.020785 -0.027300 0.007697 0.066651 0.014722 0.002058 0.100659 -0.015958 0.030902 -0.004900 -0.113323 -0.083014 0.087436 0.023344 0.049477 0.059362 0.000750 0.000393 -0.027893 0.038484 -0.105807 -0.040107 -0.037555 -0.000139 0.057209 -0.200418 0.011036 0.075388 0.054070 -0.007549 -0.012961 0.069999 -0.003366 0.004626 0.094380 -0.004422 -0.005818 0.065933 -0.006377 0.003787 0.071268 -0.002227 -0.038737 0.025938 0.055048 0.001537 -0.072756 0.000985 0.034749 -0.092659 -0.033784 0.098850 -0.025808 0.004056 -0.110469 0.126260 -0.001372 0.050697 -0.122859 -0.027099 -0.015000 -0.049609 0.034317 -0.015519 -0.057737 0.123778 -0.084612 -0.030930 -0.098508 -0.103674 -0.070688 -0.009314 -0.017597 -0.043326 -0.045944 0.276590 0.022315 -0.014644 -0.011725 0.061153 -0.020791 0.005943 0.082923 0.016562 -0.014999 0.094292 -0.010592 -0.014385 0.096486 -0.052122 -0.000494 -0.071000 0.000690 0.088854 -0.077903 0.000743 0.020677 -0.056904 0.006129 0.085661 -0.085649 0.011633 0.087468 -0.016803 -0.016314 -0.008743 -0.122441 -0.053243 0.036483 -0.002637 0.110389 0.081302 0.007230 0.103704 -0.023261 0.024300 0.001182 -0.030821 0.054680 -0.021892 0.097739 -0.102560 0.008106 0.016647 -0.035108 0.001167 -0.001752 0.065324 -0.009324 -0.003111 0.120925 -0.012230 -0.002721 0.067045 -0.007685 0.008599 0.064835 0.002506 -0.006224 -0.073886 0.053061 0.089131 -0.026388 0.018097 0.052558 -0.100642 -0.065234 -0.011367 -0.056911 -0.029613 -0.083926 0.111938 0.008327 -0.187641 0.027141 -0.010595 -0.014616 -0.055941 0.001094 -0.019570 -0.045808 0.140753 -0.186257 -0.020264 -0.150406 -0.158106 -0.014210 0.013559 0.028335 -0.099071 0.060087 0.264729 0.029365 0.051426 0.052264 0.149396 0.058730 -0.052579 0.068863 -0.103233 -0.159464 0.036856 -0.006564 -0.168869 -0.028914 -0.010807 -0.305690 0.015638 -0.033320 -0.018498 0.087499 0.007417 0.014533 0.091466 0.007955 -0.016356 0.056756 -0.006607 -0.009709 0.112823 0.048301 0.005014 -0.063914 -0.007532 0.074224 0.002782 -0.000221 -0.014723 -0.037877 0.014907 0.073824 0.018989 0.003107 0.070981 0.007532 0.006134 0.041711 -0.096737 -0.020737 -0.011486 0.003587 0.021976 0.015485 -0.005042 0.027515 0.009339 -0.004231 -0.077561 0.038961 -0.050149 0.054457 -0.007057 0.004461 0.000655 -0.003603 0.104133 -0.009126 -0.013518 0.069724 -0.002926 0.005473 0.094604 -0.003452 -0.005436 0.065776 -0.006312 0.003954 0.070553 -0.001930 -0.045848 0.004907 0.058724 0.007081 -0.096576 0.000093 0.012670 -0.094288 -0.030045 0.105591 -0.044056 -0.002791 -0.023521 0.036302 0.001849 0.073113 -0.145175 -0.041224 -0.013827 -0.015545 0.037575 -0.011099 -0.013797 0.061825 -0.019721 -0.043291 -0.046284 -0.017195 -0.082257 -0.006019 -0.116850 0.038985 -0.031091 0.117188 0.000487 -0.016558 -0.012115 0.061407 -0.021435 0.006639 0.084419 0.016895 -0.016128 0.094645 -0.011059 -0.013322 0.095428 -0.044547 0.011505 -0.053017 -0.004635 0.102132 -0.067177 0.004355 0.042406 -0.074524 0.009777 0.096916 -0.074710 0.012735 0.085800 -0.028553 0.010596 0.039666 -0.093049 -0.011767 0.013042 0.006396 0.033285 -0.006229 0.007768 0.079650 0.043769 0.009827 -0.022066 0.014226 0.002923 -0.050499 0.002881 -0.008016 0.006258 -0.013578 -0.060180 0.000609 -0.002744 0.067114 -0.009775 -0.001569 0.120477 -0.012576 -0.003882 0.069644 -0.008754 0.009376 0.063707 0.001394 -0.030895 -0.068621 0.053097 0.092770 -0.044641 0.019552 0.030259 -0.096873 -0.068471 -0.007625 -0.078456 -0.009478 -0.029028 0.026706 0.006586 -0.098257 -0.021585 -0.014739 -0.051477 0.001990 0.004707 -0.057033 0.012747 0.041590 -0.060281 -0.056402 -0.048425 -0.041316 -0.017682 0.001010 -0.080889 0.034989 0.037087 0.119110 0.005416 -0.004175 0.036867 -0.010372 0.063446 -0.028091 0.020074 -0.058726 -0.181505 -0.042673 -0.019377 -0.090505 0.032746 0.009125 -0.241590 -0.000322 -0.034200 -0.019558 0.087309 0.006963 0.014871 0.092875 0.008649 -0.017403 0.056578 -0.006893 -0.011119 0.114109 0.041568 0.011954 -0.055117 -0.012752 0.079516 0.002684 -0.001031 -0.011174 -0.044853 0.019043 0.077741 0.021438 0.006724 0.051656 0.023720 -0.009307 0.069153 -0.086730 0.019939 -0.077094 -0.009301 0.003403 -0.011998 -0.008061 0.043126 0.035424 -0.030897 -0.059839 0.088268 -0.059048 0.084615 -0.050968 0.127499 -0.010206 -0.053302 0.137875 -0.010285 -0.014329 0.069577 -0.002853 0.005467 0.094820 -0.003061 -0.005615 0.065661 -0.006412 0.003558 0.070054 -0.001956 -0.050865 -0.008618 0.060762 0.010311 -0.111713 -0.000645 -0.001285 -0.096307 -0.027799 0.109544 -0.055839 -0.001465 0.032876 -0.024124 0.003758 0.089709 -0.159842 -0.051244 -0.016135 0.004916 0.039354 -0.007418 0.013265 0.025918 0.017908 -0.048767 -0.013702 0.034090 -0.091277 0.000729 -0.178806 0.091846 -0.022456 0.018030 -0.011989 -0.017958 -0.012804 0.061595 -0.022058 0.006567 0.085296 0.016872 -0.017193 0.094781 -0.011566 -0.013110 0.094706 -0.040188 0.018537 -0.042392 -0.008003 0.109668 -0.060886 0.006462 0.056641 -0.086971 0.011769 0.103201 -0.068148 0.011682 0.082761 -0.040319 0.026048 0.068957 -0.075117 0.014719 -0.001899 0.009158 -0.018417 -0.061060 0.009648 0.060913 0.086099 0.000644 -0.037745 0.043138 -0.028330 -0.071047 -0.061005 0.051445 0.002794 -0.036190 -0.072719 0.000039 -0.003795 0.068303 -0.010256 -0.001046 0.120041 -0.012994 -0.005022 0.071327 -0.009665 0.009334 0.063005 0.000601 -0.046089 -0.066933 0.052856 0.094676 -0.056313 0.020403 0.016342 -0.095726 -0.070613 -0.005584 -0.092092 0.002015 0.010926 -0.031329 0.003710 -0.039080 -0.053501 -0.017893 -0.073937 0.034701 0.004587 -0.081543 0.046661 -0.020553 0.006233 -0.086997 0.021136 0.025761 -0.029051 -0.008474 -0.146791 0.112479 0.021337 0.032559 -0.005712 -0.033660 0.038695 -0.097172 0.075293 -0.016530 0.013048 -0.032521 -0.165072 -0.091275 -0.016278 -0.066158 0.051623 0.018207 -0.179197 0.020777 -0.034710 -0.019600 0.086352 0.006815 0.015104 0.093834 0.008858 -0.017524 0.055445 -0.006921 -0.011846 0.114431 0.041968 0.029353 -0.077684 -0.021329 0.079361 -0.009600 0.001161 0.001137 -0.062543 0.026907 0.075476 0.011644 -0.004478 -0.054095 0.068705 0.002516 0.008914 -0.027264 0.056320 -0.034761 0.005262 0.000926 0.031810 0.002673 -0.018836 0.005125 -0.021610 0.031492 0.003721 -0.064858 0.016493 -0.030761 -0.002189 -0.006945 -0.018376 0.059561 -0.011085 -0.014313 0.068490 -0.002605 0.005506 0.096492 -0.002516 -0.004649 0.064677 -0.006693 0.002780 0.069730 -0.000939 -0.036285 -0.030703 0.053370 0.008879 -0.124543 0.001133 -0.005530 -0.106446 -0.021672 0.098616 -0.055404 -0.010291 -0.012152 -0.023489 0.001808 0.015625 -0.064667 -0.011654 0.032354 0.017376 0.002335 0.040116 0.009828 -0.006779 0.018923 -0.063151 0.019301 0.021363 -0.097214 -0.005356 -0.044676 0.026117 0.008537 -0.024867 -0.029242 -0.018354 -0.012295 0.061447 -0.022757 0.006178 0.085620 0.016836 -0.017290 0.094582 -0.011994 -0.012421 0.094832 -0.037543 0.036015 -0.057819 -0.012080 0.105863 -0.058465 0.006448 0.067688 -0.102452 0.015759 0.099518 -0.064755 0.004528 -0.038375 0.040151 0.003097 0.016293 -0.016357 0.004298 0.032716 0.009928 -0.048281 -0.033263 0.002581 -0.025632 0.002592 -0.026743 0.023885 0.005493 -0.024330 -0.009659 -0.025851 -0.004223 0.008470 -0.049680 -0.054220 -0.000334 -0.003994 0.068985 -0.010503 -0.000177 0.120070 -0.013273 -0.005431 0.072865 -0.010223 0.009142 0.062225 -0.000038 -0.048944 -0.063350 0.049415 0.079805 -0.053475 0.018193 0.013895 -0.104454 -0.063595 -0.007077 -0.099334 0.005801 -0.020276 -0.044253 0.008345 -0.009407 -0.060016 0.012076 -0.002609 0.035383 -0.021524 -0.011805 0.037723 -0.061184 0.008702 -0.084200 0.066196 0.016960 -0.031174 -0.011984 -0.019134 0.074262 -0.003367 -0.014496 -0.025341 -0.015834 0.063462 0.003019 0.077793 -0.037197 0.060679 -0.055934 -0.198795 -0.015551 -0.002616 -0.019018 0.031118 0.028436 -0.141516 0.045034 -0.034880 -0.019120 0.085753 0.006868 0.015694 0.094490 0.009104 -0.017109 0.054773 -0.006804 -0.011803 0.114617 0.042386 0.041195 -0.092444 -0.026710 0.079510 -0.017659 0.002667 0.009633 -0.074118 0.032190 0.074336 0.005221 -0.011481 -0.121297 0.093841 0.010995 -0.031185 0.011666 0.079868 -0.007740 0.014115 -0.001609 0.060937 0.009962 -0.057199 -0.009794 -0.014928 0.083282 -0.046770 -0.069029 -0.026225 -0.016090 -0.085388 -0.008555 0.001397 0.017210 -0.011419 -0.013830 0.067924 -0.002313 0.005971 0.097558 -0.002043 -0.003585 0.064127 -0.006716 0.002739 0.069565 -0.000088 -0.025753 -0.045674 0.048779 0.008379 -0.132522 0.002404 -0.007684 -0.112770 -0.017618 0.092274 -0.055334 -0.014494 -0.040200 -0.024064 0.000665 -0.031806 -0.010934 0.010402 0.062458 0.024952 -0.019260 0.068995 0.007781 -0.027312 0.018771 -0.071378 0.042468 0.014109 -0.099853 -0.010285 0.034172 -0.011766 0.025032 -0.047015 -0.038942 -0.018440 -0.011517 0.061434 -0.023006 0.006401 0.085831 0.016957 -0.016848 0.094458 -0.012100 -0.011551 0.095026 -0.035719 0.047729 -0.068067 -0.014450 0.104002 -0.056997 0.006604 0.075182 -0.112315 0.018372 0.097724 -0.062704 0.001672 -0.108007 0.090075 -0.011692 -0.015134 0.021644 -0.001625 0.054840 0.009830 -0.066496 -0.015836 -0.002479 -0.080207 -0.046986 -0.043565 0.059886 -0.013266 -0.019550 0.024988 -0.003145 -0.036236 0.012217 -0.054933 -0.047451 -0.000434 -0.003679 0.069480 -0.010511 0.000814 0.120060 -0.013289 -0.005225 0.073878 -0.010388 0.009444 0.061783 -0.000265 -0.050157 -0.061217 0.047399 0.071075 -0.052020 0.016935 0.012859 -0.109888 -0.058975 -0.007586 -0.103812 0.007399 -0.039665 -0.052868 0.010722 0.011207 -0.061304 0.031345 0.038287 0.033922 -0.039628 0.031566 0.033659 -0.086065 0.010538 -0.083936 0.095438 0.010325 -0.032484 -0.014023 0.055441 0.052239 -0.018672 -0.039927 -0.039881 0.004418 0.062501 0.072717 0.063551 -0.059490 0.097657 -0.056474 -0.215009 0.020617 0.002824 -0.010230 -0.000081 0.039634 -0.111539 0.075793 -0.034962 -0.019304 0.085128 0.007324 0.016108 0.093683 0.009804 -0.017741 0.055131 -0.006139 -0.012110 0.114481 0.047086 0.050759 -0.108587 -0.031850 0.080202 -0.039581 0.002170 0.001643 -0.053744 0.037000 0.071632 -0.017286 -0.005908 -0.065289 0.007935 0.017197 -0.037959 0.035517 0.011806 -0.002552 -0.023419 0.031259 0.017912 -0.006005 -0.022760 -0.035022 0.007407 0.044994 -0.053386 -0.036186 -0.022717 -0.012079 -0.005498 -0.014624 0.033068 -0.011217 -0.011220 -0.014359 0.067415 -0.001419 0.005998 0.097925 -0.001502 -0.002878 0.063342 -0.006743 0.002133 0.070517 -0.000888 -0.011058 -0.055287 0.038494 0.016775 -0.141301 0.004693 -0.003654 -0.108963 -0.006711 0.087070 -0.048924 -0.003802 -0.000513 -0.047030 -0.002055 -0.030513 0.054592 0.015401 0.024102 -0.005971 -0.014353 0.031238 -0.021211 0.004301 0.003029 -0.038843 -0.000257 0.007794 -0.050443 -0.006380 0.021139 0.072985 0.020002 -0.032544 -0.011763 -0.018574 -0.011256 0.063041 -0.023230 0.005932 0.084105 0.017246 -0.017169 0.094985 -0.012092 -0.010914 0.094985 -0.037555 0.057378 -0.078921 -0.015334 0.094358 -0.066434 0.006296 0.064221 -0.079835 0.023093 0.087587 -0.070652 0.010886 -0.078747 0.038279 -0.028097 -0.028491 0.040748 -0.033160 0.005459 -0.002236 -0.002112 -0.010167 -0.029692 -0.051067 -0.053331 -0.014478 0.027657 -0.034027 0.007237 0.016548 -0.004890 0.015177 0.008087 0.003915 -0.039172 0.000040 -0.004004 0.069952 -0.010249 0.001536 0.118683 -0.013606 -0.005678 0.075715 -0.010390 0.009575 0.062154 -0.000275 -0.044226 -0.059412 0.040241 0.061542 -0.041589 0.013785 0.016634 -0.098668 -0.050515 -0.002170 -0.103466 0.009346 -0.006958 -0.066979 0.006012 0.009192 -0.016722 0.022027 0.039119 -0.011241 -0.023011 0.036246 -0.007619 0.004464 0.007327 -0.017152 0.020256 -0.011950 -0.007602 -0.014925 0.008255 0.089824 -0.024912 -0.032426 -0.015581 -0.022140 0.066443 0.012788 0.097281 -0.057414 0.023219 -0.045547 -0.223751 -0.048760 -0.016696 0.023939 -0.000451 0.032982 -0.080731 -0.009027 -0.035129 -0.019831 0.083542 0.007860 0.016189 0.091943 0.010785 -0.019061 0.055200 -0.005330 -0.012971 0.113590 0.053920 0.065222 -0.134214 -0.040319 0.080226 -0.074366 0.001467 -0.009736 -0.025146 0.044728 0.066649 -0.052851 0.002042 0.016382 -0.117799 0.028016 -0.050945 0.076361 -0.083621 0.001256 -0.078240 0.078295 -0.045186 -0.027102 0.026897 -0.074237 0.046155 -0.011800 -0.062590 0.025286 -0.015597 -0.008470 0.112526 -0.023955 0.071753 -0.043827 -0.011037 -0.015438 0.066098 -0.000208 0.005583 0.097742 -0.000802 -0.002169 0.061744 -0.006783 0.000856 0.071228 -0.001816 0.012632 -0.072973 0.023460 0.028746 -0.156072 0.007793 0.001858 -0.103898 0.009567 0.078473 -0.041071 0.009144 0.057268 -0.083413 -0.010332 -0.024677 0.150743 0.022713 -0.036889 -0.053898 -0.009640 -0.026162 -0.069275 0.050560 -0.023547 0.010229 -0.063291 -0.011061 0.034168 -0.000195 0.004160 0.192280 0.012408 -0.007495 0.038065 -0.018825 -0.011266 0.064917 -0.023460 0.004906 0.080965 0.017570 -0.017949 0.095171 -0.012112 -0.010389 0.094331 -0.040194 0.071618 -0.096492 -0.017003 0.079490 -0.081999 0.005874 0.049091 -0.035159 0.030676 0.072049 -0.083813 0.028013 -0.040026 -0.042632 -0.050293 -0.049844 0.070455 -0.081387 -0.065418 -0.018376 0.082452 0.003997 -0.070851 -0.010507 -0.064094 0.021702 -0.020716 -0.065670 0.043123 0.000090 -0.014789 0.089145 -0.000856 0.095149 -0.026433 0.000694 -0.004954 0.070216 -0.010006 0.002226 0.116066 -0.014095 -0.006688 0.077849 -0.010453 0.009278 0.062128 -0.000224 -0.035636 -0.057135 0.029529 0.047210 -0.027443 0.009224 0.021668 -0.082838 -0.038252 0.005177 -0.104057 0.006721 0.040939 -0.094819 0.000593 0.006093 0.045656 0.010022 0.042747 -0.080130 0.003710 0.043972 -0.068602 0.128594 0.000968 0.083292 -0.095938 -0.038788 0.033548 -0.020469 -0.056276 0.137683 -0.031966 -0.018605 0.021547 -0.065966 0.073452 -0.070464 0.113601 -0.031765 -0.122547 -0.011436 -0.214200 -0.103665 0.002923 0.042986 -0.017656 0.034077 -0.023450 -0.115440 -0.035628 -0.020278 0.083645 0.007651 0.016365 0.092115 0.011149 -0.020191 0.056278 -0.005319 -0.013348 0.114514 0.056791 0.065337 -0.136628 -0.039950 0.081029 -0.084524 0.001602 -0.015871 -0.022142 0.042248 0.063430 -0.062641 0.001358 0.024187 -0.110127 0.017824 -0.035351 0.071383 -0.076777 -0.001439 -0.056384 0.047174 -0.064155 -0.016524 0.036572 -0.066427 0.042877 -0.024790 -0.050153 0.043307 -0.024454 -0.008150 0.064293 -0.021298 0.057908 -0.058340 -0.011316 -0.016272 0.066664 0.000181 0.005488 0.098068 -0.000832 -0.001800 0.062264 -0.007054 0.000258 0.072483 -0.002841 0.014052 -0.080219 0.022793 0.036369 -0.164872 0.009862 0.005843 -0.114377 0.013964 0.080122 -0.044051 0.006746 0.048309 -0.056951 -0.009302 -0.019208 0.148456 0.028165 -0.042156 -0.036941 -0.013866 -0.041948 -0.049597 0.031786 -0.029187 0.017154 -0.038456 -0.024557 0.043706 0.000765 0.024134 0.144192 0.006627 -0.018388 0.045047 -0.019472 -0.011540 0.066923 -0.023841 0.004371 0.080248 0.017376 -0.018557 0.096206 -0.012492 -0.010291 0.094680 -0.043387 0.072463 -0.095711 -0.014902 0.076196 -0.093536 0.006575 0.044445 -0.035351 0.032037 0.068311 -0.093819 0.022524 -0.029214 -0.051850 -0.039639 -0.039491 0.064890 -0.057996 -0.075535 -0.009574 0.074326 0.000917 -0.054253 -0.003019 -0.058651 0.034571 -0.028832 -0.060827 0.042340 0.007644 -0.000569 0.055308 -0.007414 0.092251 -0.020362 0.000759 -0.005350 0.070897 -0.010270 0.002594 0.115373 -0.014772 -0.007143 0.079613 -0.010977 0.009342 0.062950 0.000214 -0.036059 -0.060343 0.028430 0.044446 -0.028910 0.007668 0.026232 -0.087538 -0.039398 0.008975 -0.106661 0.005321 0.035376 -0.047271 -0.004707 0.016761 0.052649 0.000141 0.029866 -0.071517 0.015008 0.032806 -0.062915 0.116950 -0.009918 0.075957 -0.089163 -0.045210 0.021940 -0.015452 -0.056862 0.105098 -0.026454 -0.034349 0.032664 -0.059238 0.094348 -0.051137 0.119576 -0.036591 -0.091645 0.005766 -0.209791 -0.117291 0.017564 0.071332 -0.052486 0.012175 -0.019035 -0.092262 -0.035945 -0.019809 0.081983 0.007806 0.017707 0.090730 0.012320 -0.021032 0.056498 -0.004841 -0.012836 0.114211 0.062462 0.066629 -0.142890 -0.038685 0.083519 -0.104515 0.002489 -0.025360 -0.018837 0.037905 0.058599 -0.082339 -0.002657 0.038752 -0.097256 0.003579 -0.009368 0.060206 -0.065205 -0.002301 -0.021011 -0.005706 -0.092216 -0.000012 0.053139 -0.048385 0.036902 -0.049769 -0.028986 0.078765 -0.038779 -0.009611 -0.019935 -0.012664 0.036386 -0.087221 -0.011233 -0.016558 0.065854 0.001387 0.006351 0.096844 -0.000361 -0.000051 0.061423 -0.006955 0.000365 0.072885 -0.004129 0.017799 -0.094960 0.022145 0.051619 -0.182800 0.014096 0.014505 -0.135204 0.022298 0.083955 -0.051327 0.003682 0.032899 -0.008533 -0.008676 -0.009400 0.142556 0.037302 -0.053524 -0.008314 -0.020584 -0.067803 -0.015577 -0.002383 -0.037522 0.023529 0.003946 -0.046957 0.061883 -0.002548 0.064556 0.060671 -0.002496 -0.037025 0.054343 -0.019991 -0.010917 0.068738 -0.023904 0.004580 0.077198 0.017506 -0.018440 0.096195 -0.012575 -0.009024 0.093423 -0.048476 0.074989 -0.096381 -0.010239 0.071190 -0.116482 0.008370 0.037410 -0.037635 0.035015 0.062726 -0.113678 0.015452 -0.005968 -0.069273 -0.019904 -0.022021 0.051842 -0.015415 -0.094664 0.003851 0.058196 -0.003343 -0.024927 0.013045 -0.051220 0.048176 -0.042738 -0.051726 0.035216 0.019954 0.022499 -0.001647 -0.014455 0.093375 -0.010580 0.001424 -0.004928 0.070319 -0.010238 0.004347 0.112414 -0.015428 -0.006821 0.080888 -0.011328 0.010554 0.062584 0.001646 -0.035697 -0.067769 0.026997 0.040571 -0.033242 0.005372 0.035609 -0.097847 -0.040736 0.017028 -0.113205 0.006573 0.027058 0.034705 -0.010244 0.037600 0.066128 -0.017988 0.005366 -0.058107 0.032738 0.011483 -0.053306 0.096041 -0.021463 0.069482 -0.073072 -0.051069 -0.002691 -0.012105 -0.060440 0.054658 -0.017726 -0.059900 0.050786 -0.037748 0.088825 -0.022480 0.114781 -0.048015 -0.049996 -0.017495 -0.221347 -0.079870 0.048814 0.068800 -0.064498 -0.001059 0.028093 -0.051542 -0.036225 -0.019674 0.079634 0.008277 0.018853 0.088954 0.014667 -0.023731 0.058343 -0.003979 -0.012749 0.114036 0.074156 0.067832 -0.155678 -0.035586 0.086937 -0.144629 0.005035 -0.044003 -0.013313 0.027414 0.046425 -0.123827 -0.007019 0.075798 -0.075790 -0.029572 0.044107 0.038609 -0.047914 -0.008186 0.045873 -0.117375 -0.153559 0.034157 0.086603 -0.013087 0.024665 -0.101389 0.018988 0.147989 -0.063645 -0.018389 -0.182388 0.002214 -0.005083 -0.131489 -0.010676 -0.018045 0.065329 0.003831 0.006739 0.095347 0.000513 0.002425 0.060980 -0.006392 -0.000387 0.074240 -0.006546 0.024787 -0.124167 0.021152 0.083370 -0.220180 0.022947 0.032647 -0.178099 0.039292 0.089621 -0.066089 -0.001547 0.003952 0.081416 -0.004763 0.005534 0.126762 0.053686 -0.082980 0.048332 -0.028921 -0.130497 0.049653 -0.073240 -0.058400 0.043510 0.086340 -0.105076 0.121223 -0.008937 0.138366 -0.064897 -0.020995 -0.078278 0.078574 -0.020617 -0.010841 0.073554 -0.023541 0.003989 0.071797 0.017799 -0.019277 0.097106 -0.012302 -0.007656 0.091736 -0.058237 0.078287 -0.098166 0.000946 0.058852 -0.164492 0.012232 0.022460 -0.042171 0.041360 0.050115 -0.154203 -0.005785 0.039828 -0.114170 0.025048 0.011185 0.024612 0.072979 -0.133694 0.039642 0.031348 -0.007291 0.040131 0.038238 -0.064049 0.031926 -0.064932 -0.024564 0.027327 0.031941 0.055045 -0.088534 -0.034182 0.096735 0.003373 0.003040 -0.005376 0.070330 -0.010165 0.006634 0.107540 -0.016525 -0.007242 0.084355 -0.011731 0.011740 0.062888 0.005240 -0.035968 -0.081896 0.024149 0.031520 -0.041153 0.000902 0.053664 -0.118759 -0.042562 0.032659 -0.126081 0.006177 0.018613 0.196493 -0.019066 0.076857 0.089596 -0.056348 -0.048402 -0.033879 0.075232 -0.038832 -0.037357 0.058774 -0.044818 0.054837 -0.032570 -0.055133 -0.063680 0.003282 -0.072859 -0.045387 0.004083 -0.114700 0.084226 0.003758 0.084051 0.027674 0.137788 -0.067671 -0.005392 -0.027731 -0.147983 -0.042523 0.045825 0.107576 -0.054800 -0.045254 0.092288 0.036422 -0.036595 -0.019941 0.080993 0.007556 0.018175 0.090014 0.013039 -0.022545 0.057500 -0.004863 -0.012993 0.114352 0.067840 0.067146 -0.148985 -0.037700 0.085093 -0.124387 0.003174 -0.035194 -0.015527 0.032479 0.052499 -0.102519 -0.005627 0.054563 -0.086219 -0.013695 0.019506 0.051162 -0.057138 -0.005374 0.014181 -0.062908 -0.126030 0.017126 0.069153 -0.031891 0.031263 -0.075521 -0.006960 0.113913 -0.052618 -0.013830 -0.102404 -0.006497 0.014407 -0.108111 -0.011462 -0.017508 0.065715 0.002134 0.006419 0.096291 -0.000390 0.000995 0.061263 -0.007192 -0.000179 0.073810 -0.005845 0.021081 -0.109374 0.021118 0.067082 -0.200974 0.018038 0.023142 -0.156198 0.030344 0.086804 -0.058374 0.001049 0.017106 0.036947 -0.007823 -0.001661 0.135357 0.047356 -0.070096 0.020409 -0.026546 -0.099305 0.017408 -0.036607 -0.047178 0.028972 0.045564 -0.075690 0.092604 -0.005574 0.100793 -0.006570 -0.013479 -0.056595 0.067166 -0.020827 -0.011044 0.071289 -0.024240 0.004096 0.074682 0.017198 -0.019023 0.096863 -0.012954 -0.008504 0.092756 -0.053902 0.076572 -0.096881 -0.005342 0.065005 -0.140025 0.009828 0.029698 -0.039590 0.037711 0.056238 -0.133656 0.003168 0.017306 -0.089689 0.003179 -0.005331 0.039005 0.023581 -0.114378 0.020607 0.045597 -0.005707 0.008194 0.026123 -0.051267 0.051050 -0.055572 -0.037220 0.031013 0.025037 0.041399 -0.046363 -0.026136 0.096131 0.000854 0.001741 -0.005296 0.070421 -0.010663 0.005357 0.110138 -0.016455 -0.007212 0.082804 -0.012033 0.011020 0.062895 0.002905 -0.036039 -0.074650 0.025137 0.035878 -0.037013 0.002644 0.044443 -0.107977 -0.042240 0.024684 -0.119379 0.005273 0.021690 0.115655 -0.014667 0.057345 0.076851 -0.037867 -0.021621 -0.046716 0.054589 -0.013059 -0.044787 0.076890 -0.033690 0.059185 -0.054764 -0.054395 -0.032347 -0.003235 -0.065679 0.001657 -0.007532 -0.088745 0.068866 -0.022936 0.095901 0.006640 0.114840 -0.047325 -0.033785 0.006760 -0.187000 -0.071514 0.061936 0.086910 -0.062800 -0.013534 0.051025 -0.011057 -0.037164 -0.020526 0.080328 0.007087 0.018023 0.090837 0.013191 -0.024226 0.057024 -0.005084 -0.013558 0.115622 0.065021 0.062861 -0.146411 -0.033276 0.080944 -0.104140 0.002746 -0.030615 -0.022189 0.028196 0.049220 -0.077588 -0.000345 0.025207 -0.031375 -0.024706 -0.010117 0.034149 -0.043704 0.003528 0.008147 -0.050859 -0.080492 0.005982 0.034447 -0.012070 0.013866 -0.023864 -0.022942 0.093825 -0.030051 -0.010302 -0.051146 -0.001934 -0.016175 -0.099693 -0.011318 -0.018951 0.066410 0.002642 0.005440 0.096117 -0.000829 0.001093 0.062227 -0.007259 -0.000810 0.074786 -0.006665 0.009599 -0.107665 0.026528 0.063880 -0.195253 0.015296 0.014537 -0.160278 0.025206 0.089825 -0.064447 0.006043 -0.011101 0.020543 -0.001682 -0.050907 0.071351 0.032008 -0.035114 0.034734 -0.018495 -0.051095 0.035755 -0.037723 -0.034505 0.052978 0.044844 -0.050527 0.102233 -0.007216 0.059086 -0.036458 -0.007893 -0.065423 0.045110 -0.020832 -0.011609 0.071949 -0.024121 0.003044 0.074673 0.017057 -0.019943 0.096583 -0.013245 -0.009352 0.092935 -0.054302 0.073941 -0.090639 -0.006410 0.067590 -0.130823 0.011965 0.033433 -0.055814 0.034887 0.056087 -0.127403 -0.019075 -0.000772 -0.018159 0.016772 -0.024818 0.031569 0.031213 -0.064110 0.012118 0.017079 0.002783 0.013992 -0.002542 -0.059869 0.024216 -0.032491 -0.014949 0.019862 0.010456 0.008376 -0.034239 -0.023197 0.033633 0.012950 0.001863 -0.006424 0.070522 -0.010951 0.004981 0.108673 -0.017008 -0.008311 0.083542 -0.012500 0.011143 0.062833 0.003612 -0.040613 -0.079253 0.032024 0.033907 -0.046195 0.007019 0.043530 -0.113766 -0.049418 0.019785 -0.118550 0.001897 -0.003877 0.084566 -0.009579 0.045557 0.027218 -0.029164 -0.013139 -0.005803 0.035859 -0.003621 -0.014398 0.032730 -0.018681 0.048281 -0.015000 -0.034392 -0.030246 -0.000877 -0.026961 -0.051529 -0.001822 -0.085014 0.040093 -0.020374 0.092866 -0.038865 0.139986 -0.039404 -0.014213 -0.011202 -0.156254 -0.066496 0.051067 0.102660 -0.050305 -0.024566 0.085014 0.044735 -0.037834 -0.019586 0.078304 0.006635 0.019631 0.091779 0.013909 -0.025351 0.055178 -0.005184 -0.012462 0.117199 0.059565 0.056453 -0.142127 -0.024717 0.074433 -0.065986 0.002342 -0.019050 -0.036503 0.020692 0.044671 -0.030255 0.007092 -0.034231 0.074337 -0.045178 -0.070643 0.001714 -0.013797 0.023057 -0.005438 -0.031174 0.006594 -0.022354 -0.041241 0.028259 -0.017252 0.078277 -0.051901 0.057632 0.015881 -0.008512 0.046302 0.011078 -0.088456 -0.074378 -0.010521 -0.019765 0.066834 0.004023 0.005509 0.094973 -0.001350 0.003162 0.063439 -0.006977 -0.000037 0.075819 -0.008000 -0.010452 -0.106534 0.038095 0.059333 -0.184983 0.009879 -0.000633 -0.170037 0.015066 0.097995 -0.078349 0.013707 -0.063918 -0.012593 0.008251 -0.146488 -0.062562 0.003321 0.033377 0.062529 0.001481 0.034109 0.075570 -0.044081 -0.005329 0.101551 0.043780 -0.005565 0.122608 -0.000172 -0.027049 -0.088375 0.001818 -0.075785 -0.000309 -0.020348 -0.010688 0.072561 -0.023444 0.003048 0.073806 0.017139 -0.019752 0.095208 -0.013327 -0.009063 0.092572 -0.054612 0.070679 -0.079007 -0.008079 0.074431 -0.113596 0.016922 0.043878 -0.091193 0.029830 0.057712 -0.115977 -0.061312 -0.036242 0.110269 0.044091 -0.062712 0.014780 0.041981 0.030312 -0.005284 -0.035903 0.016307 0.026441 -0.062547 -0.101201 -0.060423 0.012950 0.037247 -0.006207 -0.021570 -0.062344 -0.010043 -0.021027 -0.096284 0.039036 0.002512 -0.006639 0.069902 -0.011115 0.006111 0.105024 -0.017634 -0.008443 0.084109 -0.012913 0.013378 0.061754 0.005824 -0.047809 -0.089852 0.046916 0.031880 -0.066546 0.016618 0.043669 -0.126811 -0.063560 0.011690 -0.118654 -0.004526 -0.054054 0.020495 0.004751 0.025135 -0.082484 -0.015727 0.006760 0.075266 0.004013 0.018297 0.043799 -0.065686 0.021011 0.025570 0.070299 0.011778 -0.024265 0.004643 0.048651 -0.150472 0.012317 -0.078564 -0.007917 0.002082 0.098988 -0.106964 0.125896 -0.009839 0.006767 -0.013979 -0.078610 0.024036 0.020834 0.127928 -0.022038 -0.036972 0.081986 0.148604 -0.037752 -0.018888 0.077257 0.006942 0.020199 0.091504 0.014488 -0.025669 0.054254 -0.004686 -0.012051 0.116173 0.054514 0.046012 -0.135137 -0.021985 0.069765 -0.063179 0.003864 -0.024665 -0.027999 0.023886 0.042555 -0.020205 0.006514 -0.023055 0.066764 -0.032778 -0.050903 0.003464 0.002748 0.013803 -0.002915 -0.016172 0.000628 -0.016663 -0.023777 0.014063 -0.035750 0.037648 -0.039010 0.013355 0.014354 -0.026799 0.019609 0.023409 -0.092423 -0.048069 -0.009717 -0.020222 0.067084 0.005057 0.005488 0.094070 -0.001437 0.004385 0.064308 -0.006333 0.000120 0.076315 -0.007232 -0.017318 -0.083071 0.037225 0.051737 -0.174437 0.004846 -0.007339 -0.150883 0.013732 0.098279 -0.070022 0.024784 -0.049115 -0.021525 0.014668 -0.083139 -0.067952 -0.003861 -0.001299 0.031255 0.007269 0.007647 0.044447 -0.002729 -0.013764 0.085244 0.008071 -0.022333 0.060183 0.002273 -0.074472 -0.049383 -0.006167 -0.017431 0.008220 -0.019517 -0.009704 0.073516 -0.022698 0.002543 0.072409 0.017572 -0.019639 0.094773 -0.012781 -0.009364 0.091414 -0.053178 0.063205 -0.067582 -0.012595 0.074656 -0.110004 0.014980 0.041906 -0.094239 0.031050 0.057604 -0.122665 -0.043791 -0.017814 0.068634 0.030281 -0.045283 -0.008146 0.024630 0.015823 -0.025622 -0.034524 0.006173 0.009763 -0.033966 -0.083294 -0.085548 0.002754 0.019117 -0.014677 -0.044339 -0.091285 0.030457 -0.010700 -0.066849 0.022542 0.003368 -0.006446 0.068932 -0.011073 0.006253 0.103475 -0.017425 -0.008414 0.083551 -0.012335 0.014305 0.060956 0.004627 -0.039082 -0.089439 0.046162 0.034203 -0.058757 0.022743 0.046557 -0.116393 -0.064815 0.005191 -0.110568 -0.014337 -0.030357 -0.011434 -0.000440 -0.001006 -0.059151 -0.000760 -0.007244 0.054086 -0.009790 0.007675 0.031568 -0.032092 0.007165 0.042620 0.017364 0.020216 0.011675 0.007879 -0.006492 -0.115037 0.024129 -0.032160 -0.001034 0.018160 0.091633 -0.058141 0.109936 0.037001 0.053645 -0.023174 -0.027478 0.051468 -0.009482 0.094290 0.028669 -0.023490 0.101607 0.087970 -0.038349 -0.018942 0.077481 0.006582 0.019918 0.092613 0.014370 -0.026830 0.054610 -0.004868 -0.012457 0.116454 0.047942 0.033628 -0.126559 -0.019576 0.063615 -0.058637 0.004859 -0.031539 -0.017235 0.026680 0.039312 -0.007583 0.004663 -0.011785 0.059479 -0.020836 -0.027298 0.006588 0.018612 0.004038 0.001444 -0.000075 -0.004749 -0.009799 -0.006247 -0.003722 -0.055325 -0.007745 -0.030407 -0.031127 0.011454 -0.054314 -0.011103 0.044395 -0.103616 -0.013195 -0.009530 -0.021602 0.068776 0.005451 0.004595 0.094484 -0.002244 0.004805 0.066856 -0.006322 -0.000606 0.078341 -0.007045 -0.025379 -0.056288 0.035528 0.042591 -0.161353 -0.001363 -0.015444 -0.128410 0.011470 0.097572 -0.059260 0.034330 -0.028670 -0.027772 0.019200 -0.012033 -0.072197 -0.017404 -0.044047 -0.002414 0.010021 -0.022529 0.009657 0.045384 -0.023411 0.069139 -0.028714 -0.049110 -0.018808 0.003335 -0.125948 -0.004905 -0.014088 0.039653 0.021239 -0.019247 -0.009509 0.076090 -0.022544 0.001112 0.072224 0.017317 -0.020417 0.095638 -0.012865 -0.010609 0.091524 -0.052180 0.054177 -0.053915 -0.018351 0.073833 -0.104551 0.012049 0.038820 -0.096269 0.031686 0.056573 -0.128763 -0.023736 0.003408 0.022496 0.012329 -0.027884 -0.034133 0.007284 -0.000388 -0.045881 -0.033095 -0.006561 -0.007582 -0.000495 -0.076304 -0.125147 -0.008501 0.001016 -0.023829 -0.071055 -0.122970 0.073695 -0.003210 -0.037595 0.008755 0.003614 -0.007112 0.069279 -0.011755 0.005450 0.103171 -0.017912 -0.009210 0.084296 -0.012379 0.014453 0.061509 0.002688 -0.029881 -0.088019 0.044581 0.035911 -0.048646 0.028721 0.048708 -0.103607 -0.066769 -0.002846 -0.100207 -0.025310 -0.003937 -0.046523 -0.004347 -0.027427 -0.035230 0.011244 -0.024640 0.033425 -0.022580 -0.004527 0.016735 0.007812 -0.006893 0.061880 -0.043489 0.034287 0.051721 0.011760 -0.071427 -0.073185 0.032936 0.018746 0.006171 0.066771 0.117723 -0.042653 0.081604 0.084363 0.093101 -0.029649 0.045566 0.090716 0.000675 0.076927 0.072330 -0.033473 0.133775 0.018194 -0.038180 -0.017732 0.077993 0.006251 0.020044 0.093083 0.013736 -0.026044 0.055056 -0.004741 -0.011695 0.115762 0.045035 0.024629 -0.122852 -0.018335 0.058629 -0.070533 0.003181 -0.038296 -0.019222 0.030589 0.038151 -0.025173 -0.006866 -0.016107 0.014658 -0.003231 -0.011090 -0.021359 0.005395 -0.003726 -0.008283 0.009565 -0.013109 -0.006969 -0.042774 -0.012479 -0.001516 -0.021323 -0.025599 -0.028786 0.003630 -0.030243 -0.015057 0.032974 -0.081062 -0.005872 -0.009878 -0.021174 0.069319 0.005279 0.005308 0.095130 -0.002635 0.005781 0.067617 -0.006441 -0.000612 0.079134 -0.005548 -0.020842 -0.054234 0.028907 0.039192 -0.148674 -0.000309 -0.010718 -0.121662 0.010075 0.093675 -0.045400 0.003816 -0.001571 0.015607 0.003617 0.015095 -0.020460 -0.012219 -0.048989 -0.005526 0.007487 -0.024058 -0.007743 0.026209 -0.054604 0.035723 -0.018771 -0.055537 -0.026934 0.002246 -0.084746 0.022215 -0.021352 0.011623 0.025858 -0.018848 -0.008200 0.076893 -0.022781 0.000660 0.071647 0.016900 -0.019617 0.096311 -0.012729 -0.010485 0.091109 -0.049722 0.050066 -0.060316 -0.020413 0.070827 -0.110522 0.009740 0.032159 -0.083795 0.032460 0.054449 -0.137986 -0.011133 0.000202 -0.043744 0.004166 -0.017630 -0.043078 0.000367 -0.014228 -0.035310 -0.017755 -0.007189 0.000323 0.017992 -0.013167 -0.040727 0.017417 -0.025284 0.011579 -0.030849 -0.062884 0.040150 -0.011104 -0.011257 -0.001367 0.003898 -0.005712 0.069279 -0.012317 0.005358 0.103997 -0.018143 -0.008370 0.084655 -0.012125 0.014679 0.061468 0.000776 -0.022808 -0.087928 0.038646 0.035297 -0.042490 0.026458 0.053112 -0.098740 -0.059198 -0.006974 -0.088473 -0.002651 -0.016481 0.019844 -0.005353 -0.026789 0.023006 -0.005300 -0.028441 0.005829 -0.003823 -0.022062 -0.000219 -0.020038 -0.056078 0.017663 -0.010169 -0.008229 0.026583 0.004421 -0.057664 -0.031778 0.033509 0.008323 0.002341 0.067528 0.130452 -0.030742 0.102083 0.101341 0.068187 -0.050439 0.037397 0.048957 0.002726 0.058825 0.004849 -0.009590 0.094308 0.001648 -0.037743 -0.016480 0.078656 0.005836 0.019474 0.093570 0.012833 -0.025436 0.055622 -0.004463 -0.011125 0.114501 0.040399 0.009999 -0.117722 -0.016203 0.049847 -0.090570 0.000445 -0.049447 -0.022915 0.037338 0.035385 -0.054269 -0.025263 -0.027350 -0.054025 0.024713 0.010785 -0.062757 -0.015772 -0.016799 -0.023624 0.028549 -0.030186 -0.004628 -0.097474 -0.025403 0.085135 -0.041552 -0.016076 -0.022569 -0.006187 0.002898 -0.016218 0.006214 -0.044766 0.000805 -0.010288 -0.021185 0.069991 0.005047 0.005690 0.095919 -0.003187 0.006543 0.068644 -0.006492 -0.001334 0.080227 -0.003177 -0.014434 -0.051097 0.018806 0.033291 -0.129340 0.001328 -0.004052 -0.111286 0.007929 0.087167 -0.024201 -0.045777 0.041850 0.083481 -0.022342 0.054810 0.059374 -0.004607 -0.057400 -0.012200 -0.001425 -0.029172 -0.038074 -0.006226 -0.097407 -0.007339 -0.005246 -0.057743 -0.044851 0.005312 -0.016479 0.069269 -0.031849 -0.034399 0.035478 -0.018150 -0.006858 0.078016 -0.023037 -0.000768 0.070577 0.016279 -0.019001 0.097162 -0.012368 -0.010996 0.090271 -0.045459 0.042707 -0.071099 -0.023842 0.065154 -0.120536 0.006247 0.021514 -0.065006 0.033942 0.050275 -0.152969 0.004564 -0.004535 -0.161093 -0.004273 -0.004988 -0.060440 -0.009942 -0.033694 -0.017830 0.006341 -0.006607 0.015632 0.053770 0.085819 0.097426 0.051394 -0.067465 0.062015 0.028453 0.028609 -0.004214 -0.020413 0.030454 -0.018571 0.004455 -0.004173 0.069047 -0.013062 0.004493 0.105191 -0.018427 -0.007727 0.085054 -0.011663 0.014322 0.061195 -0.002033 -0.012204 -0.088310 0.029533 0.033594 -0.033351 0.023032 0.059235 -0.091050 -0.047126 -0.014165 -0.071318 0.031203 -0.034369 0.116784 -0.008050 -0.028809 0.109891 -0.029858 -0.038556 -0.035799 0.027584 -0.049160 -0.029562 -0.064951 -0.129851 -0.045249 0.042268 -0.078742 -0.015039 -0.012931 -0.030798 0.038994 0.036855 -0.009294 0.001165 0.066134 0.135903 -0.027005 0.117872 0.110278 0.034440 -0.033796 -0.004513 -0.051880 0.013690 0.040871 -0.056497 -0.003709 0.112976 -0.019030 -0.037161 -0.015978 0.077738 0.005931 0.019307 0.093702 0.012910 -0.025285 0.054174 -0.003740 -0.010753 0.113817 0.039803 0.008296 -0.122395 -0.017856 0.049377 -0.086279 0.000269 -0.047927 -0.039082 0.041286 0.038407 -0.052784 -0.022648 -0.034285 -0.053426 0.012393 0.005357 -0.031848 -0.013804 -0.027214 -0.015187 0.020891 -0.015175 -0.001436 -0.066880 -0.034370 0.065547 -0.035023 -0.026551 -0.036998 -0.013352 -0.011344 -0.015182 -0.010984 -0.026282 -0.002002 -0.009968 -0.021518 0.070015 0.005632 0.005902 0.095272 -0.002944 0.006576 0.069048 -0.006233 -0.001668 0.079921 -0.002230 -0.014475 -0.055349 0.014807 0.029210 -0.129043 0.001546 -0.011812 -0.105402 0.005569 0.079903 -0.031552 -0.045881 0.027458 0.066915 -0.023939 0.036365 0.064519 0.006729 -0.040054 -0.003394 -0.003425 -0.018986 -0.031161 -0.011694 -0.090475 -0.015478 -0.017834 -0.036038 -0.019505 0.004549 -0.005557 0.056045 -0.029213 -0.048112 0.016702 -0.017069 -0.006369 0.076981 -0.022692 -0.001454 0.070240 0.016630 -0.018772 0.096671 -0.011695 -0.011422 0.089792 -0.041192 0.043266 -0.079467 -0.024586 0.065784 -0.112091 0.003980 0.018539 -0.061368 0.033120 0.052889 -0.149074 0.015033 -0.020180 -0.122756 -0.009540 -0.000833 -0.024125 -0.008168 -0.026645 -0.001741 0.011014 -0.020387 0.015702 0.042867 0.062114 0.081696 0.044662 -0.073896 0.043908 0.044880 0.032237 -0.019518 -0.016321 0.027033 -0.019453 0.005277 -0.003778 0.068840 -0.012746 0.003826 0.104721 -0.018247 -0.007686 0.085294 -0.010959 0.014301 0.059996 -0.003524 -0.016197 -0.084282 0.030906 0.027550 -0.043730 0.023755 0.055830 -0.091316 -0.041762 -0.021775 -0.072075 0.028427 -0.042078 0.088696 -0.002768 -0.022331 0.095842 -0.029843 -0.028170 -0.031688 0.020472 -0.040539 -0.023182 -0.054759 -0.100877 -0.035133 0.037995 -0.070972 -0.007455 -0.008752 -0.002908 0.039577 0.022358 -0.018492 -0.009928 0.059054 0.178115 -0.034163 0.144864 0.119592 0.020379 -0.044593 -0.001940 -0.036971 0.009611 0.042450 -0.039792 -0.013196 0.071879 -0.014937 -0.036104 -0.013915 0.076190 0.005402 0.019188 0.094871 0.012400 -0.024260 0.050878 -0.002384 -0.009087 0.112536 0.037164 0.003747 -0.135627 -0.023405 0.048440 -0.072403 -0.001232 -0.042214 -0.088560 0.052049 0.047832 -0.047477 -0.016389 -0.054707 -0.052187 -0.020472 -0.006573 0.053921 -0.009983 -0.058424 0.009803 0.002332 0.024561 0.006195 0.029985 -0.057937 0.007915 -0.011478 -0.047341 -0.073717 -0.027307 -0.045066 0.003278 -0.057029 0.039148 -0.018185 -0.009769 -0.022010 0.071237 0.006609 0.006975 0.094322 -0.003088 0.007100 0.071207 -0.006200 -0.002221 0.080060 -0.000251 -0.013834 -0.067163 0.001659 0.017414 -0.127891 0.001445 -0.033085 -0.088608 -0.003468 0.058164 -0.055842 -0.048452 -0.017928 0.017206 -0.026351 -0.020064 0.078700 0.036257 0.022462 0.027749 -0.009246 0.012357 -0.008867 -0.022433 -0.051810 -0.061141 -0.050842 0.029454 0.061556 -0.000301 0.028477 0.023358 -0.020791 -0.084460 -0.034032 -0.014644 -0.004466 0.074932 -0.022421 -0.003034 0.070341 0.016807 -0.017462 0.096050 -0.010381 -0.012184 0.089392 -0.028465 0.045279 -0.104550 -0.027486 0.067947 -0.085851 -0.003728 0.010216 -0.050240 0.029919 0.061153 -0.136565 0.047145 -0.064711 0.004748 -0.029633 0.008934 0.082157 -0.008178 -0.008720 0.048246 0.032685 -0.059034 0.019566 0.012547 -0.006158 0.042898 0.015578 -0.090640 -0.010183 0.092899 0.048458 -0.061171 0.002580 0.020807 -0.021600 0.007009 -0.002002 0.069247 -0.012602 0.002382 0.104415 -0.018499 -0.006999 0.086947 -0.009726 0.014791 0.057340 -0.008725 -0.026985 -0.072008 0.034315 0.009646 -0.075751 0.025329 0.046415 -0.091460 -0.025156 -0.043793 -0.075966 0.017567 -0.060209 -0.004909 0.013027 0.000292 0.050336 -0.028809 -0.003771 -0.020978 -0.003107 -0.009191 -0.007338 -0.014272 -0.029318 0.000711 0.024597 -0.049739 0.012714 -0.002979 0.078347 0.041947 -0.021542 -0.042647 -0.045986 0.026084 0.168341 0.009528 0.183294 0.095822 -0.048339 -0.040267 0.000040 0.005205 -0.011050 0.043448 0.010696 -0.018038 0.058362 -0.073805 -0.034565 -0.009200 0.074044 0.003127 0.018915 0.096808 0.010254 -0.021223 0.044947 -0.000782 -0.005110 0.110242 0.030351 -0.004251 -0.162263 -0.034621 0.046816 -0.045207 -0.006496 -0.027137 -0.195646 0.071249 0.065828 -0.037567 0.003035 -0.088965 -0.055965 -0.081543 -0.030444 0.217867 -0.002574 -0.120957 0.060103 -0.036853 0.105427 0.026008 0.193737 -0.100605 -0.093607 0.032344 -0.071559 -0.142091 -0.041474 -0.096925 0.057197 -0.169471 0.179874 -0.033019 -0.010135 -0.022563 0.074522 0.007444 0.009169 0.092611 -0.004712 0.007932 0.075435 -0.007266 -0.003102 0.080930 0.002122 -0.011647 -0.089837 -0.027405 -0.005946 -0.128436 0.000421 -0.069166 -0.062310 -0.028518 0.012468 -0.119842 -0.064119 -0.116701 -0.078728 -0.029626 -0.133977 0.104277 0.102619 0.170478 0.086633 -0.022694 0.076501 0.044624 0.012653 0.161325 -0.303780 -0.123181 0.154889 0.211216 0.004671 0.086613 -0.031612 -0.018281 -0.160454 -0.093981 -0.010979 -0.000646 0.071325 -0.022938 -0.006058 0.071724 0.015807 -0.014007 0.094425 -0.008472 -0.013324 0.089056 -0.000492 0.049283 -0.158415 -0.034091 0.071376 -0.033968 -0.020569 -0.005463 -0.030946 0.022655 0.076986 -0.112337 0.115349 -0.152682 0.248005 -0.073978 0.011532 0.284079 -0.011327 0.023973 0.143190 0.066370 -0.135097 0.025745 -0.026586 -0.154100 -0.039183 -0.051731 -0.111243 -0.098854 0.207236 0.082314 -0.131320 0.045054 0.007558 -0.031766 0.009487 0.002157 0.070624 -0.013257 -0.000256 0.103728 -0.020080 -0.005399 0.090591 -0.008507 0.015929 0.052667 -0.019925 -0.045548 -0.050662 0.040421 -0.027373 -0.148011 0.028304 0.028893 -0.092777 0.013471 -0.085944 -0.095210 -0.002487 -0.105043 -0.197282 0.044228 0.051556 -0.037760 -0.026849 0.056358 -0.007184 -0.043049 0.052927 0.020191 0.073684 0.128718 0.086157 -0.000820 -0.027853 0.049227 0.006871 0.234353 0.057007 -0.108909 -0.083717 -0.118793 -0.088348 -0.006942 0.193247 0.266811 0.096666 -0.180946 -0.048033 -0.027525 0.028096 -0.033123 0.045308 0.139658 -0.010907 -0.023975 -0.136902 -0.035556 -0.011641 0.074913 0.004813 0.019973 0.095044 0.011847 -0.022583 0.048422 -0.001746 -0.007051 0.111224 0.035184 0.001916 -0.144559 -0.026988 0.048753 -0.064180 -0.002591 -0.037089 -0.121896 0.058462 0.054535 -0.044712 -0.010004 -0.064403 -0.051647 -0.040640 -0.011577 0.105790 -0.008581 -0.078148 0.024430 -0.008442 0.048901 0.010827 0.085122 -0.072702 -0.028855 0.004294 -0.053876 -0.098938 -0.036403 -0.061434 0.016274 -0.090826 0.082124 -0.023000 -0.009811 -0.021353 0.071706 0.007001 0.008548 0.093239 -0.003437 0.008241 0.072089 -0.006401 -0.001687 0.079760 0.000703 -0.012393 -0.075019 -0.007212 0.010817 -0.128118 0.001206 -0.044578 -0.079770 -0.010402 0.044846 -0.074370 -0.053275 -0.047642 -0.013282 -0.026770 -0.054083 0.087256 0.056038 0.073178 0.045904 -0.015191 0.032323 0.007226 -0.025187 -0.014598 -0.106895 -0.071906 0.062920 0.107695 -0.001947 0.046872 0.000794 -0.017850 -0.107785 -0.056429 -0.013333 -0.002387 0.073215 -0.022467 -0.003136 0.070043 0.016676 -0.015628 0.095114 -0.009689 -0.011756 0.088725 -0.019971 0.047436 -0.121627 -0.029509 0.070040 -0.069790 -0.008914 0.005963 -0.044189 0.027698 0.067139 -0.129262 0.066185 -0.093327 0.081738 -0.044409 0.012007 0.145805 -0.009162 -0.001609 0.077571 0.043930 -0.083803 0.020936 -0.000307 -0.049577 0.017502 -0.004363 -0.095605 -0.042223 0.127146 0.057834 -0.086769 0.016556 0.016203 -0.025641 0.007917 0.000095 0.069063 -0.012701 0.002362 0.103691 -0.018867 -0.005672 0.087572 -0.009179 0.015985 0.055282 -0.012205 -0.032447 -0.065325 0.036339 -0.001092 -0.098004 0.026267 0.041523 -0.092251 -0.013705 -0.056579 -0.080904 0.011759 -0.074716 -0.065963 0.022875 0.014771 0.023239 -0.029870 0.012258 -0.014246 -0.016589 0.012348 0.000951 0.015966 0.020665 0.028812 0.016141 -0.042280 0.025704 -0.000291 0.128832 0.048308 -0.050572 -0.055802 -0.070533 0.015748 0.136807 0.034753 0.209603 0.089794 -0.064412 -0.054628 -0.008070 0.013482 -0.028537 0.040407 0.061595 -0.005045 0.021693 -0.092886 -0.035169 -0.011024 0.074043 0.004274 0.019783 0.094627 0.011427 -0.022690 0.047584 -0.001223 -0.006592 0.110777 0.034519 -0.005459 -0.140883 -0.027618 0.050165 -0.057160 -0.002966 -0.039186 -0.125994 0.056435 0.054136 -0.037800 -0.004838 -0.054080 -0.042836 -0.031752 -0.018189 0.079958 -0.008715 -0.075578 0.021576 -0.012860 0.036709 0.002241 0.069166 -0.060523 -0.011845 0.016527 -0.037984 -0.082913 -0.032482 -0.062743 0.042479 -0.073050 0.074595 -0.006165 -0.010087 -0.021984 0.072438 0.007148 0.008738 0.092042 -0.003646 0.007790 0.072775 -0.006715 -0.001846 0.080186 -0.000425 -0.016433 -0.070637 -0.006281 0.007774 -0.126733 -0.001202 -0.052219 -0.075385 -0.016549 0.041892 -0.074466 -0.042620 -0.043331 -0.031028 -0.016301 -0.046607 0.064534 0.045221 0.062792 0.032112 -0.010863 0.011114 0.008499 -0.024255 0.028736 -0.138642 -0.051382 0.048753 0.087456 -0.013312 0.050929 -0.009145 -0.009635 -0.104705 -0.045807 -0.012968 -0.002270 0.072929 -0.022659 -0.003800 0.069927 0.016572 -0.015552 0.094907 -0.009279 -0.012543 0.088468 -0.017940 0.042471 -0.117068 -0.027414 0.065857 -0.057270 -0.011071 0.002749 -0.043716 0.024256 0.064875 -0.121218 0.055722 -0.079287 0.084759 -0.039635 0.012632 0.122351 -0.011000 -0.002220 0.074147 0.046362 -0.081891 0.005190 -0.007096 -0.032043 0.032178 0.000658 -0.072169 -0.031125 0.094393 0.039940 -0.066786 0.024706 -0.009723 -0.011601 0.008585 0.000639 0.068620 -0.012750 0.001371 0.102525 -0.019305 -0.005603 0.087997 -0.008814 0.016234 0.054759 -0.014805 -0.036627 -0.059756 0.041455 -0.004535 -0.103640 0.029775 0.038153 -0.084132 -0.017518 -0.062552 -0.079216 -0.002453 -0.046820 -0.070978 0.018533 0.016756 -0.003269 -0.022145 0.011393 -0.008626 -0.019049 0.006390 0.002656 0.022235 0.050192 0.019988 0.004147 -0.029173 0.025550 -0.003274 0.109184 0.043476 -0.055165 -0.065945 -0.054683 -0.008257 0.118167 0.062630 0.234386 0.099769 -0.058544 -0.040995 -0.005199 -0.026549 -0.024308 0.027284 0.062154 -0.014655 0.021163 -0.082922 -0.033401 -0.008212 0.073420 0.003011 0.020128 0.094766 0.010585 -0.021700 0.047008 0.000729 -0.004062 0.111012 0.032905 -0.025434 -0.129390 -0.028982 0.055359 -0.034657 -0.003705 -0.044466 -0.136527 0.050841 0.053892 -0.015257 0.013799 -0.010575 -0.018452 0.003471 -0.033543 0.001132 -0.013144 -0.065590 0.010930 -0.027456 0.001270 -0.021025 0.024588 -0.016821 0.034878 0.051282 0.011580 -0.030198 -0.013493 -0.062608 0.126052 -0.023968 0.061193 0.054193 -0.010352 -0.022737 0.076588 0.007936 0.010324 0.090336 -0.004030 0.007374 0.076231 -0.007382 -0.001273 0.083327 -0.003564 -0.026808 -0.056716 -0.003163 -0.000059 -0.121013 -0.008234 -0.072949 -0.062347 -0.035025 0.033990 -0.074790 -0.009794 -0.035241 -0.084011 0.014273 -0.022571 0.001104 0.016356 0.032483 -0.010719 0.002910 -0.045112 0.017327 0.003081 0.210018 -0.296295 0.005082 0.016950 0.032926 -0.037947 0.059167 -0.027397 0.014835 -0.111484 -0.011918 -0.011475 -0.001023 0.073842 -0.022746 -0.004675 0.071513 0.016496 -0.014131 0.095762 -0.007639 -0.013630 0.089460 -0.011158 0.029070 -0.102609 -0.021102 0.054610 -0.019060 -0.017575 -0.005745 -0.041017 0.014605 0.059151 -0.095384 0.032310 -0.024536 0.105370 -0.022503 0.009015 0.052328 -0.014766 -0.005864 0.063268 0.056354 -0.081850 -0.036017 -0.027558 0.022061 0.079769 0.013336 0.001641 0.009345 0.003116 -0.012812 -0.007252 0.057927 -0.089165 0.030601 0.010823 0.003221 0.068948 -0.012346 -0.000342 0.100804 -0.020092 -0.004477 0.090813 -0.007382 0.017941 0.054865 -0.021976 -0.047140 -0.042219 0.058065 -0.013594 -0.120153 0.040677 0.029173 -0.058947 -0.028604 -0.078607 -0.073923 -0.042648 0.032414 -0.079895 0.002544 0.023016 -0.080777 0.001767 0.014528 0.011135 -0.022945 -0.011352 0.007705 0.040747 0.135966 0.001373 -0.027315 0.013619 0.029631 -0.008116 0.057084 0.024211 -0.079492 -0.094892 -0.003381 -0.105549 -0.043584 0.165228 0.224137 0.101934 -0.078098 -0.018937 0.005006 -0.106305 -0.008843 0.022975 -0.022254 -0.004183 -0.027489 -0.059198 -0.032973 -0.008515 0.072999 0.002230 0.019319 0.093511 0.009609 -0.022828 0.046972 0.001010 -0.004107 0.110780 0.030764 -0.035145 -0.128230 -0.025351 0.055023 -0.036563 -0.001180 -0.053370 -0.122113 0.044699 0.044829 -0.010972 0.025856 0.001899 -0.002331 0.019004 -0.036138 -0.016858 0.000653 -0.031734 0.019778 -0.029895 -0.009631 -0.000923 0.024800 -0.029734 0.030589 0.024592 0.024067 0.004326 0.025665 0.000131 0.121368 -0.030317 0.068217 0.064287 -0.011142 -0.024245 0.077072 0.007699 0.010126 0.089492 -0.004362 0.006140 0.076568 -0.008093 -0.001858 0.084623 -0.004794 -0.032010 -0.052523 -0.001452 -0.007802 -0.118295 -0.009605 -0.075182 -0.065266 -0.032649 0.034893 -0.063752 -0.013153 -0.042322 -0.048659 0.019164 -0.015401 -0.030728 -0.008431 0.019693 -0.052782 -0.001736 -0.042303 0.007705 -0.028482 0.110374 -0.226256 0.024691 -0.021158 -0.010371 -0.029115 0.058834 -0.026629 0.015088 -0.042166 0.014441 -0.011443 -0.001972 0.075065 -0.023254 -0.005794 0.071321 0.015636 -0.015094 0.095369 -0.007666 -0.014899 0.088964 -0.016547 0.021683 -0.091642 -0.021288 0.045408 -0.015896 -0.016169 -0.011248 -0.053462 0.010625 0.047033 -0.094988 0.020675 0.004147 0.049785 -0.012047 -0.004085 0.020622 -0.009202 -0.007530 0.034862 0.025622 -0.028926 -0.025145 -0.010109 0.016173 0.068418 -0.002035 0.002415 0.006635 0.007481 0.010004 -0.025046 0.031950 -0.039431 -0.001725 0.010997 0.003025 0.068122 -0.012735 -0.001529 0.099991 -0.020496 -0.005129 0.090866 -0.007158 0.017923 0.054918 -0.025339 -0.045677 -0.043760 0.059788 -0.014578 -0.111782 0.043714 0.029896 -0.054098 -0.039200 -0.081731 -0.069919 -0.015475 0.025192 -0.027493 -0.016642 -0.012776 -0.046220 0.015003 0.013826 0.002232 -0.012694 -0.022068 -0.000787 0.032207 0.064052 -0.047325 -0.021677 -0.009978 0.000314 -0.006341 0.026752 0.016101 -0.066648 -0.032078 0.010776 -0.112364 -0.009908 0.092620 0.240101 0.105240 -0.049047 -0.018169 0.043651 -0.066247 -0.004688 -0.002906 -0.011803 -0.007210 -0.026981 -0.011855 -0.031968 -0.007933 0.072987 0.001090 0.019142 0.091977 0.008103 -0.023441 0.047700 0.001665 -0.002957 0.111123 0.027035 -0.049639 -0.126376 -0.018870 0.055569 -0.039122 0.003479 -0.066384 -0.098242 0.034168 0.031103 -0.004143 0.038216 0.016368 0.025034 0.034979 -0.039016 -0.049689 0.025269 0.023442 0.037931 -0.034078 -0.025624 0.035119 0.023338 -0.046373 0.022884 -0.021978 0.057273 0.066472 0.088492 0.107099 0.111886 -0.045166 0.078481 0.079182 -0.012234 -0.025513 0.078744 0.007402 0.011034 0.088723 -0.004824 0.005164 0.077660 -0.009236 -0.001625 0.087746 -0.006781 -0.039430 -0.044918 0.001812 -0.019338 -0.113522 -0.011858 -0.077764 -0.069343 -0.028403 0.037432 -0.044708 -0.020274 -0.049087 0.001305 0.030654 -0.001997 -0.089936 -0.053240 0.010123 -0.135158 -0.008908 -0.032038 -0.010044 -0.071693 -0.066054 -0.084675 0.044992 -0.085238 -0.072417 -0.012059 0.055837 -0.021370 0.013016 0.082005 0.060104 -0.011204 -0.002400 0.077842 -0.023851 -0.006504 0.071804 0.014210 -0.015372 0.095363 -0.007636 -0.015717 0.088730 -0.025331 0.011108 -0.073081 -0.021268 0.031018 -0.010545 -0.013390 -0.019262 -0.074720 0.003573 0.027770 -0.095411 -0.001163 0.057674 -0.048625 0.006664 -0.022925 -0.034619 0.003611 -0.007701 -0.016182 -0.023827 0.070809 -0.003231 0.016161 0.008948 0.043365 -0.030302 0.013944 0.008327 0.012130 0.052340 -0.051338 -0.012382 0.047498 -0.058154 0.011415 0.003815 0.067546 -0.013068 -0.002259 0.099455 -0.020985 -0.005068 0.091694 -0.006649 0.019089 0.055755 -0.030767 -0.041912 -0.045752 0.062435 -0.014924 -0.097004 0.048958 0.032124 -0.045138 -0.056715 -0.085788 -0.063176 0.029932 0.013673 0.059868 -0.051101 -0.071049 0.008787 0.036826 0.012868 -0.016506 0.007080 -0.036605 -0.017231 0.018531 -0.053290 -0.127267 -0.014956 -0.050961 -0.045032 -0.001484 -0.022532 -0.000292 -0.043284 0.074825 0.046585 -0.092290 -0.004054 -0.052319 0.209253 0.118679 -0.022527 -0.005388 0.060022 -0.005875 -0.005024 -0.033013 0.016634 0.039147 -0.075488 0.079352 -0.031534 -0.006987 0.073483 0.000469 0.019237 0.092227 0.006903 -0.023349 0.047564 0.001745 -0.001863 0.110919 0.022068 -0.052165 -0.122808 -0.020008 0.048277 -0.042631 -0.000257 -0.062100 -0.089987 0.040981 0.025263 -0.004221 0.017494 0.029522 0.023039 0.031907 -0.018891 -0.012713 0.041046 0.019324 0.050570 -0.013931 -0.012680 0.049946 0.013683 0.019289 0.015257 -0.013630 0.042897 0.053575 0.025752 0.050034 0.010541 0.002342 0.046169 0.042865 -0.012614 -0.025799 0.078163 0.007260 0.011961 0.088267 -0.005281 0.005315 0.077827 -0.009862 -0.000836 0.089088 0.000378 -0.042505 -0.065305 -0.001812 -0.027034 -0.116174 -0.011513 -0.081445 -0.068071 -0.021848 0.036261 -0.053553 -0.014116 -0.034824 -0.002267 0.010233 -0.004356 -0.071304 -0.052242 0.006715 -0.060229 -0.002939 -0.002077 0.001896 -0.022485 -0.039820 -0.027194 -0.001858 -0.019446 -0.047006 -0.013033 -0.030304 -0.025093 0.011333 0.064373 0.057623 -0.010819 -0.002053 0.079569 -0.024288 -0.006500 0.072649 0.013299 -0.015296 0.095614 -0.007777 -0.015628 0.087883 -0.026268 0.007798 -0.067389 -0.025880 0.028885 -0.017728 -0.010287 -0.020260 -0.070043 -0.003758 0.016784 -0.096474 -0.009339 0.049551 -0.028158 0.015521 -0.010975 -0.028132 -0.005387 0.002050 -0.012429 -0.034129 0.041358 -0.007349 -0.001201 0.018914 -0.013345 -0.021488 0.040444 0.001729 -0.004794 0.016442 -0.028449 -0.005317 0.011465 -0.023032 0.011634 0.004366 0.068148 -0.013542 -0.001983 0.099266 -0.021378 -0.004706 0.093043 -0.006576 0.020418 0.054957 -0.033372 -0.046989 -0.050264 0.063746 -0.019904 -0.096834 0.042648 0.023213 -0.061087 -0.056338 -0.075584 -0.069783 0.024826 0.009513 -0.001468 -0.020266 -0.041164 -0.013611 0.025196 0.013161 -0.006607 0.003770 -0.026007 -0.001466 0.031753 -0.033443 -0.068906 -0.027956 -0.016391 -0.034957 -0.003672 -0.040536 0.000600 0.000484 0.061007 0.015674 -0.055887 0.029058 -0.022611 0.182851 0.088804 -0.066440 -0.005628 0.088318 0.037897 -0.008527 -0.057443 -0.010393 0.043516 -0.074838 0.035635 -0.030412 -0.006608 0.073589 0.000217 0.018722 0.091941 0.005903 -0.023757 0.046892 0.002340 -0.001104 0.109987 0.016309 -0.055743 -0.119004 -0.021283 0.038428 -0.048057 -0.004493 -0.057458 -0.080227 0.050672 0.017218 -0.005786 -0.007602 0.046537 0.017533 0.025700 -0.002890 0.035814 0.060486 0.016255 0.060269 0.011841 0.001179 0.067237 -0.001582 0.108462 0.003301 -0.000445 0.025437 0.036813 -0.058965 -0.023537 -0.109141 0.061201 0.003934 0.000695 -0.012493 -0.026764 0.077016 0.007522 0.012463 0.087049 -0.005404 0.004804 0.077262 -0.010262 -0.000466 0.090268 0.010669 -0.047329 -0.092666 -0.005941 -0.037223 -0.120857 -0.010652 -0.086428 -0.067054 -0.012772 0.034182 -0.065792 -0.003685 -0.010914 -0.011383 -0.013057 -0.010191 -0.050982 -0.050572 0.004413 0.027221 0.005517 0.035791 0.022355 0.042940 -0.009066 0.065176 -0.061141 0.070469 -0.013400 -0.014678 -0.134877 -0.029984 0.023116 0.048530 0.040416 -0.009825 -0.002238 0.081121 -0.024251 -0.007208 0.073094 0.012591 -0.015729 0.095335 -0.007475 -0.016107 0.086124 -0.026992 0.002848 -0.061016 -0.031365 0.025453 -0.027725 -0.005822 -0.022220 -0.064789 -0.012963 0.002329 -0.099811 -0.020649 0.037337 -0.001218 0.027956 0.008711 -0.019070 -0.016377 0.010810 -0.008773 -0.049082 0.002104 -0.012584 -0.021226 0.027038 -0.085418 -0.009432 0.078467 -0.010932 -0.025526 -0.034796 0.003221 0.005617 -0.035604 0.024541 0.012376 0.004439 0.068296 -0.013445 -0.002294 0.098468 -0.021406 -0.004844 0.094007 -0.005989 0.021435 0.053320 -0.036159 -0.054059 -0.057060 0.065879 -0.026804 -0.097339 0.034065 0.010669 -0.083970 -0.055057 -0.062209 -0.079652 0.020202 0.001130 -0.079215 0.023202 0.000027 -0.044570 0.011644 0.013941 0.002099 0.001787 -0.013841 0.020265 0.047945 -0.005691 0.009206 -0.042454 0.025323 -0.026934 -0.006842 -0.063026 0.000599 0.056595 0.045354 -0.018493 -0.004655 0.076732 0.008976 0.114099 0.056371 -0.121995 -0.015791 0.124580 0.110988 -0.012576 -0.081011 -0.027655 0.042403 -0.079883 -0.017943 -0.029616 -0.005886 0.075356 -0.000424 0.018100 0.092339 0.003885 -0.023559 0.047119 0.002575 0.000002 0.109513 0.016132 -0.055729 -0.094607 -0.026588 0.021827 -0.053150 -0.017076 -0.049869 -0.071061 0.056390 0.008894 -0.027205 -0.004545 0.028144 0.014639 -0.003090 0.019646 0.047539 -0.002352 -0.010438 -0.027554 0.043947 0.013350 0.008692 -0.019080 0.046250 -0.016584 0.027899 -0.006427 0.035766 -0.027078 0.024963 -0.041820 0.050008 -0.014548 -0.008321 -0.013175 -0.026488 0.075642 0.007144 0.013013 0.087494 -0.006017 0.005022 0.076127 -0.010812 0.000077 0.091066 0.014354 -0.041824 -0.098253 -0.008131 -0.038681 -0.107984 -0.013407 -0.079231 -0.067611 -0.007788 0.035390 -0.072939 0.019694 0.035738 -0.001789 -0.019728 0.019028 0.013247 0.001460 -0.009993 0.051706 0.000579 0.040726 0.008159 0.013743 -0.022236 0.076892 -0.000770 0.041572 -0.056362 -0.014045 -0.034072 -0.051921 0.038916 0.040764 -0.010141 -0.008933 -0.001786 0.082381 -0.025352 -0.007618 0.072692 0.011810 -0.015551 0.095074 -0.007148 -0.016037 0.083980 -0.030803 0.001150 -0.068745 -0.029752 0.018451 -0.053279 0.004327 -0.014592 -0.041228 -0.017277 -0.016578 -0.109663 -0.016228 -0.015145 0.014588 0.005468 0.017198 -0.014685 -0.007264 0.018204 -0.015549 0.000598 -0.000277 -0.004927 -0.027472 0.039694 -0.016919 0.005012 0.024045 -0.015674 -0.029093 -0.003885 0.020303 -0.022337 -0.011562 0.012999 0.013287 0.005859 0.067739 -0.014356 -0.002644 0.098736 -0.022051 -0.004293 0.095374 -0.005674 0.021888 0.052848 -0.036267 -0.053402 -0.065569 0.062750 -0.033154 -0.088525 0.027322 0.004016 -0.097716 -0.047717 -0.055287 -0.083186 -0.009264 0.011984 -0.036961 0.027788 0.009129 -0.024018 -0.011245 0.001354 0.011987 -0.005791 0.022247 0.010204 -0.016287 -0.018585 0.010040 0.015720 0.030635 -0.017567 0.014220 0.008612 -0.007014 0.036746 0.021343 -0.017603 0.009347 0.054013 -0.015048 0.058845 0.025725 -0.043305 -0.002520 0.093657 0.023964 -0.012142 -0.075546 0.006726 0.038732 -0.076789 -0.026444 -0.028751 -0.005884 0.075573 -0.000090 0.017619 0.092101 0.003742 -0.023721 0.046814 0.003224 0.000117 0.109012 0.016618 -0.055888 -0.086863 -0.027998 0.016022 -0.055734 -0.020665 -0.047622 -0.068523 0.059023 0.005740 -0.035167 -0.002020 0.022161 0.012648 -0.012753 0.026233 0.051977 -0.021640 -0.019846 -0.059791 0.057432 0.019417 -0.014901 -0.025039 0.024418 -0.023195 0.038124 -0.017237 0.035189 -0.014412 0.043508 -0.019023 0.047468 -0.021740 -0.011416 -0.012857 -0.026639 0.074733 0.007544 0.012939 0.087227 -0.005676 0.004817 0.075301 -0.010451 -0.000011 0.090943 0.016096 -0.040193 -0.100569 -0.008312 -0.039394 -0.104071 -0.013800 -0.077028 -0.068233 -0.005483 0.035541 -0.075768 0.026293 0.049802 -0.000714 -0.022735 0.026218 0.034782 0.019614 -0.015930 0.059781 -0.001184 0.043040 0.001873 0.007739 -0.026290 0.082415 0.019582 0.030406 -0.069164 -0.015221 -0.003325 -0.058943 0.048902 0.042816 -0.037864 -0.008059 -0.001894 0.082434 -0.025189 -0.008034 0.072209 0.012055 -0.015741 0.094570 -0.006478 -0.016264 0.082857 -0.031552 0.000292 -0.071880 -0.028618 0.015703 -0.062563 0.008113 -0.012363 -0.033989 -0.018172 -0.023157 -0.113821 -0.013720 -0.031563 0.018673 -0.001917 0.020352 -0.013407 -0.004453 0.021639 -0.017950 0.016675 -0.001363 -0.002532 -0.028992 0.044804 0.005533 0.009656 0.005509 -0.017581 -0.030068 0.006582 0.027315 -0.031036 -0.001271 0.010228 0.014168 0.006096 0.067198 -0.014082 -0.003048 0.098448 -0.021746 -0.004333 0.095466 -0.005016 0.021791 0.052303 -0.035685 -0.053463 -0.068887 0.062200 -0.035501 -0.085995 0.025450 0.001398 -0.103012 -0.044645 -0.053171 -0.084835 -0.017402 0.015119 -0.020135 0.031035 0.011367 -0.018080 -0.018701 -0.003454 0.014806 -0.007865 0.032732 0.007203 -0.037724 -0.022967 0.009558 0.037689 0.031332 -0.014640 0.022728 0.032840 -0.009001 0.030442 0.013412 -0.017952 0.000163 0.048687 -0.018763 0.020013 0.017932 0.003551 0.005828 0.084619 -0.004217 -0.013785 -0.072790 0.017402 0.026379 -0.071896 -0.020945 -0.028562 -0.006744 0.076051 -0.000299 0.016518 0.091486 0.003064 -0.024364 0.047600 0.003373 -0.000653 0.109437 0.025157 -0.061695 -0.080152 -0.026432 0.016410 -0.057092 -0.021022 -0.055959 -0.071501 0.052799 0.007792 -0.041101 -0.008712 -0.001010 -0.022219 0.007931 0.038476 -0.000300 0.002915 0.018605 -0.019624 0.001735 0.001724 0.002316 0.001654 0.011716 -0.000153 0.002708 0.029954 0.021613 0.007875 0.002205 -0.031337 -0.001408 -0.002157 -0.015179 -0.013471 -0.027258 0.074901 0.007228 0.012292 0.088023 -0.005861 0.003922 0.075215 -0.010816 -0.000938 0.092023 0.012207 -0.037463 -0.090583 -0.004371 -0.033695 -0.091353 -0.015753 -0.072413 -0.069171 -0.011303 0.036765 -0.063313 0.015133 0.020262 0.002465 -0.008065 0.027906 0.017873 0.014344 -0.004652 -0.003024 0.002181 0.027119 -0.027405 0.013033 0.002642 0.043581 0.021867 0.039921 -0.021681 0.030397 0.016726 0.007440 0.006863 0.016406 -0.009917 -0.008101 -0.002597 0.081991 -0.025955 -0.009084 0.072020 0.011791 -0.016365 0.094560 -0.006479 -0.017081 0.081677 -0.031212 0.001809 -0.077732 -0.028224 0.014049 -0.068667 0.004491 -0.015518 -0.047528 -0.012498 -0.024274 -0.121438 -0.003010 -0.005248 -0.003838 -0.012298 0.015538 -0.000286 0.016388 0.011360 -0.015783 -0.001713 0.020663 0.008904 0.015511 0.007566 0.007826 -0.008151 -0.003094 -0.004689 0.006041 0.019597 -0.004235 -0.010695 0.011919 -0.000565 0.014144 0.006034 0.066700 -0.014172 -0.003991 0.098423 -0.022007 -0.004797 0.096112 -0.005372 0.020786 0.053171 -0.037553 -0.049384 -0.066927 0.058085 -0.034757 -0.083979 0.029401 0.008412 -0.095035 -0.041474 -0.060049 -0.074190 0.003260 0.000015 -0.003950 0.003770 0.006184 0.016191 -0.004601 -0.012837 -0.001322 0.003509 0.022826 -0.011826 -0.011659 -0.005547 0.002264 0.008764 0.019862 -0.013722 0.026362 -0.001479 0.021625 -0.007672 0.021915 0.000207 -0.001407 0.031655 0.014460 0.007547 0.010012 -0.017154 -0.001819 0.080692 -0.000303 -0.013826 -0.039903 0.005781 0.024444 -0.043250 -0.043659 -0.028694 -0.007282 0.076226 -0.000693 0.015820 0.091060 0.002386 -0.024787 0.047993 0.003189 -0.001153 0.109565 0.029990 -0.065045 -0.076634 -0.025796 0.016562 -0.057987 -0.021443 -0.060952 -0.073502 0.048780 0.008970 -0.044827 -0.012945 -0.013083 -0.042969 0.017103 0.046712 -0.032128 0.019070 0.041853 0.004099 -0.028890 -0.009549 0.010594 0.012998 0.006923 0.014043 -0.017544 0.055801 0.013748 0.017716 -0.017365 -0.039977 -0.032239 0.009161 -0.016874 -0.014113 -0.027646 0.074879 0.006772 0.011853 0.088397 -0.006246 0.003350 0.075059 -0.011302 -0.001528 0.092579 0.009694 -0.035988 -0.084882 -0.002419 -0.030373 -0.084301 -0.017135 -0.069692 -0.069956 -0.014847 0.037359 -0.056236 0.007840 0.003143 0.004045 -0.001174 0.028717 0.007072 0.010425 0.001030 -0.039425 0.005179 0.019460 -0.044763 0.019749 0.019229 0.021025 0.021316 0.044111 0.009022 0.058317 0.030890 0.046160 -0.017138 -0.001216 0.005024 -0.008390 -0.003040 0.081635 -0.026680 -0.009758 0.071793 0.011335 -0.016779 0.094443 -0.006734 -0.017576 0.080891 -0.031249 0.002711 -0.081350 -0.028254 0.013015 -0.072294 0.001947 -0.017482 -0.055846 -0.009285 -0.024965 -0.126195 0.000425 0.011394 -0.015240 -0.019083 0.011056 0.007984 0.029701 0.004306 -0.013374 -0.013036 0.034476 0.015627 0.038046 -0.015685 0.010988 -0.020851 -0.007845 0.002271 0.028038 0.025678 -0.021321 0.002343 0.020616 -0.004874 0.013888 0.005958 0.066321 -0.014507 -0.004607 0.098347 -0.022439 -0.005099 0.096447 -0.005863 0.020131 0.053623 -0.038908 -0.047018 -0.065967 0.055378 -0.034315 -0.082976 0.031361 0.012485 -0.090642 -0.039903 -0.064046 -0.068127 0.016180 -0.010983 0.006396 -0.010796 0.003996 0.036434 0.005328 -0.017344 -0.013329 0.008630 0.017401 -0.023541 0.002107 0.004297 -0.004398 -0.006384 0.012814 -0.012989 0.028976 -0.021251 0.039085 -0.029767 0.027983 0.011380 -0.011978 0.013712 0.024874 0.010546 0.011474 -0.030847 -0.006454 0.079883 0.004764 -0.008734 -0.016704 -0.004170 0.037161 -0.034175 -0.041954 -0.028126 -0.006346 0.075865 -0.000391 0.016576 0.090285 0.002390 -0.023912 0.047982 0.003909 -0.000179 0.110783 0.036180 -0.060170 -0.083802 -0.022755 0.017131 -0.053588 -0.024437 -0.060818 -0.072733 0.043214 0.015633 -0.047539 -0.004361 0.005844 -0.005319 0.011208 0.010718 -0.023133 -0.009969 0.029794 0.017719 -0.005405 0.008209 -0.012964 0.010106 0.008715 -0.003345 -0.005182 0.006259 -0.008104 0.017232 0.014653 0.013368 -0.012375 0.030166 -0.011344 -0.014117 -0.026677 0.074399 0.007420 0.012755 0.087227 -0.006060 0.004023 0.074160 -0.011121 -0.000368 0.092461 0.009473 -0.036961 -0.097759 0.004436 -0.020431 -0.094114 -0.013797 -0.069313 -0.081216 -0.016958 0.036869 -0.053793 -0.006378 0.001809 0.008420 0.019865 -0.004626 -0.004625 -0.008677 0.026298 -0.002379 0.017517 0.005782 -0.018760 0.008298 0.049889 -0.020962 0.007716 0.005337 0.004495 0.008461 0.046006 0.014434 0.018305 0.017846 -0.020703 -0.008255 -0.002438 0.081025 -0.026653 -0.008772 0.071598 0.011940 -0.015662 0.093976 -0.006604 -0.016888 0.080535 -0.023722 0.004348 -0.086652 -0.022157 0.016077 -0.074333 -0.001733 -0.011602 -0.058062 -0.008658 -0.017817 -0.127898 -0.007089 0.021995 0.016053 -0.000340 0.003975 0.003396 -0.007908 0.002437 0.007898 0.003734 0.006417 0.003149 0.016251 0.005757 0.024745 0.003165 -0.000136 0.003359 0.008290 0.016196 -0.014585 0.028727 -0.003671 0.009299 0.014597 0.007101 0.066044 -0.013841 -0.003719 0.097804 -0.022264 -0.003882 0.097153 -0.006032 0.021144 0.053414 -0.039626 -0.048516 -0.067679 0.055519 -0.028471 -0.090108 0.033403 0.014679 -0.097577 -0.046137 -0.063539 -0.073416 0.001234 0.009798 0.001661 -0.002155 0.014299 0.012585 0.010216 0.014529 0.003458 0.011131 0.000403 -0.011812 0.014715 0.029667 -0.005983 0.015249 -0.010675 -0.016545 -0.007881 0.020168 0.002272 0.012109 -0.004974 0.001963 -0.015563 -0.020368 0.019147 -0.009452 -0.020287 0.004934 -0.002057 0.055282 -0.008128 -0.009487 -0.010788 -0.023430 0.011712 -0.032575 0.005332 -0.028098 -0.006690 0.075759 -0.000442 0.016124 0.090116 0.002279 -0.024289 0.048012 0.003971 -0.000556 0.111101 0.037314 -0.059677 -0.085257 -0.022262 0.016729 -0.052631 -0.025138 -0.061383 -0.072520 0.042025 0.016398 -0.048118 -0.002298 0.009874 0.002819 0.009367 0.001042 -0.020069 -0.015245 0.027967 0.019831 -0.000458 0.011086 -0.017484 0.009498 0.007904 -0.007232 -0.003559 -0.003407 -0.013707 0.016471 0.020046 0.024252 -0.008719 0.033993 -0.009805 -0.014237 -0.027073 0.074296 0.007466 0.012352 0.086955 -0.006137 0.003568 0.073958 -0.011208 -0.000731 0.092417 0.009319 -0.037695 -0.100337 0.005697 -0.018908 -0.096207 -0.013227 -0.069828 -0.083518 -0.017467 0.036165 -0.053237 -0.009543 0.000784 0.009997 0.024422 -0.011609 -0.007872 -0.013466 0.031640 0.004802 0.019534 0.004000 -0.013982 0.006970 0.056036 -0.030820 0.006889 -0.005017 0.005054 -0.000152 0.049679 0.007469 0.025821 0.021474 -0.026092 -0.008347 -0.002920 0.080904 -0.026778 -0.009156 0.071567 0.011958 -0.015994 0.093889 -0.006678 -0.017330 0.080488 -0.022267 0.004128 -0.087656 -0.021048 0.016150 -0.074660 -0.002536 -0.010928 -0.058477 -0.008621 -0.016925 -0.128227 -0.008901 0.023405 0.022416 0.003820 -0.000070 0.002600 -0.015326 0.001409 0.011806 0.007351 -0.000451 0.000450 0.012107 0.010120 0.026930 0.008134 0.001650 0.003916 0.004137 0.013328 -0.013207 0.033589 -0.008378 0.012269 0.014693 0.006783 0.065981 -0.013782 -0.004129 0.097705 -0.022360 -0.004202 0.097309 -0.006211 0.020773 0.053361 -0.039876 -0.049373 -0.067995 0.055425 -0.027819 -0.091507 0.033721 0.014530 -0.098948 -0.047559 -0.064016 -0.074508 -0.001653 0.013728 0.000684 -0.000341 0.015940 0.008131 0.011579 0.020096 0.006665 0.011137 -0.004586 -0.008338 0.016902 0.033844 -0.007181 0.020768 -0.016637 -0.016567 -0.017071 0.029437 -0.005343 0.019954 -0.012358 -0.000438 -0.021888 -0.022912 0.012979 -0.007932 -0.017067 0.014272 -0.000052 0.061079 -0.014796 -0.011788 -0.009505 -0.027464 0.010347 -0.021645 0.023038 -0.027584 -0.006723 0.075811 0.000282 0.016238 0.089902 0.002467 -0.024281 0.047753 0.004453 -0.000478 0.111105 0.032911 -0.053127 -0.087745 -0.022887 0.021924 -0.052587 -0.023363 -0.063106 -0.072701 0.043191 0.016692 -0.052231 0.017390 0.020627 0.009085 -0.010004 0.006372 -0.008439 -0.007449 -0.000062 0.007472 -0.004574 0.016536 -0.009341 0.024997 0.006651 -0.020817 0.007319 0.005424 -0.010060 0.019497 0.019390 0.033752 0.001335 0.029131 -0.000509 -0.013985 -0.027023 0.074317 0.007815 0.012614 0.086501 -0.005653 0.003800 0.073071 -0.010786 -0.000267 0.091588 0.005331 -0.037601 -0.101679 0.006232 -0.012236 -0.107207 -0.005302 -0.069680 -0.091721 -0.011992 0.036850 -0.053154 0.012820 0.001517 -0.006431 0.007578 0.005340 -0.011590 0.013152 0.016557 0.001324 -0.005314 -0.006741 0.023189 0.005297 0.021326 -0.005513 -0.003835 0.013457 0.010638 0.014028 0.022113 -0.006377 -0.002131 0.005981 -0.013522 -0.008047 -0.002919 0.081247 -0.026684 -0.009072 0.071775 0.012521 -0.015965 0.093568 -0.006535 -0.017313 0.080366 -0.020841 0.005947 -0.084916 -0.016631 0.018345 -0.072671 -0.000929 -0.006743 -0.056724 -0.008432 -0.012615 -0.126210 0.014641 0.011814 0.011294 -0.001938 0.008079 0.005854 -0.007061 -0.005689 0.010724 0.003988 -0.003539 -0.002035 -0.002005 0.014853 0.020442 0.004860 0.014933 -0.002365 0.008943 0.010358 -0.008180 0.009508 0.007948 0.006048 0.015168 0.006932 0.066125 -0.013240 -0.003753 0.098083 -0.022069 -0.003874 0.097479 -0.005979 0.021260 0.053180 -0.041151 -0.050388 -0.070184 0.051030 -0.022032 -0.086696 0.038516 0.013050 -0.102762 -0.049767 -0.061988 -0.079082 0.006937 0.015747 -0.004621 -0.006965 0.008919 -0.013599 0.018560 0.021955 -0.006224 -0.005555 0.004617 0.010752 0.021817 0.023224 0.004017 0.008175 0.002993 0.011700 0.003670 0.008416 0.000136 0.001271 -0.001880 0.003442 -0.021904 -0.007210 -0.012634 -0.027031 -0.006426 0.018415 0.010261 0.033725 -0.025767 -0.005197 -0.013163 0.002307 -0.003141 -0.005765 -0.016169 -0.027591 -0.006343 0.075857 0.000427 0.016596 0.089722 0.002124 -0.023957 0.047532 0.004401 -0.000164 0.111189 0.027307 -0.045211 -0.090876 -0.024182 0.028158 -0.052640 -0.021889 -0.064843 -0.072896 0.044008 0.017125 -0.056873 0.038097 0.029495 0.018881 -0.036364 0.010861 0.003591 0.005705 -0.038760 -0.008237 -0.010947 0.022776 0.001349 0.037051 0.005815 -0.037609 0.020307 0.019055 -0.005353 0.022702 0.017567 0.041709 0.012012 0.022276 0.010044 -0.014331 -0.026755 0.074262 0.007641 0.013135 0.085950 -0.005714 0.004258 0.072123 -0.010880 0.000498 0.090685 0.000168 -0.037209 -0.103068 0.006149 -0.004067 -0.120073 0.003271 -0.069339 -0.101327 -0.006297 0.037794 -0.053128 0.038883 0.002994 -0.026759 -0.013208 0.022026 -0.016668 0.040906 -0.000678 -0.003966 -0.031300 -0.011114 0.063031 0.001249 -0.023233 0.018444 -0.016095 0.034616 0.013473 0.027606 -0.016218 -0.019760 -0.033046 -0.010673 0.003459 -0.008301 -0.002709 0.081603 -0.027134 -0.008737 0.072020 0.012562 -0.015595 0.093266 -0.006894 -0.017059 0.080318 -0.019881 0.008292 -0.081674 -0.012292 0.020991 -0.070384 0.000407 -0.001667 -0.054803 -0.008782 -0.007580 -0.124033 0.039288 -0.000242 -0.002507 -0.008849 0.017716 0.008948 0.003653 -0.012417 0.010210 -0.000113 -0.006586 -0.006118 -0.019034 0.022143 0.007552 0.000373 0.030645 -0.009813 0.014527 0.006169 -0.000691 -0.016946 0.027745 0.001475 0.015232 0.007352 0.066277 -0.013135 -0.003107 0.098488 -0.022382 -0.003237 0.097685 -0.006423 0.022054 0.052995 -0.043202 -0.051279 -0.072651 0.045575 -0.015168 -0.081481 0.043427 0.011499 -0.107098 -0.052831 -0.059353 -0.084344 0.014420 0.017845 -0.008809 -0.018378 0.001434 -0.037251 0.022133 0.018454 -0.022863 -0.021700 0.016336 0.033508 0.029921 0.012537 0.015807 -0.009013 0.025925 0.042089 0.026737 -0.011399 0.009902 -0.023982 0.010067 0.008923 -0.000193 -0.004348 -0.044138 -0.018129 -0.010801 0.007668 0.011586 0.017529 -0.028366 -0.010191 0.002837 0.030546 -0.000226 0.007235 -0.034326 -0.027351 -0.006470 0.075785 0.000574 0.016482 0.089715 0.002518 -0.024054 0.047552 0.004651 -0.000263 0.111046 0.029741 -0.048378 -0.089771 -0.023393 0.025633 -0.052699 -0.022200 -0.064185 -0.073021 0.043945 0.016927 -0.055156 0.030365 0.026299 0.015357 -0.025796 0.009104 -0.001319 0.001046 -0.023960 -0.002691 -0.008786 0.021182 -0.003753 0.032833 0.005399 -0.031074 0.015722 0.013675 -0.007383 0.022371 0.019086 0.038326 0.006687 0.023944 0.005530 -0.013908 -0.026816 0.074129 0.007988 0.012975 0.086137 -0.005416 0.004104 0.072461 -0.010563 0.000226 0.091060 0.002463 -0.037380 -0.102651 0.006472 -0.007348 -0.115098 0.000089 -0.069434 -0.097611 -0.008232 0.037379 -0.053254 0.029242 0.001696 -0.019273 -0.004115 0.015721 -0.015355 0.029876 0.006975 -0.002276 -0.021377 -0.008078 0.048012 0.003646 -0.005635 0.008769 -0.010471 0.025886 0.011837 0.021156 -0.002257 -0.015211 -0.019801 -0.002514 -0.005327 -0.007882 -0.002749 0.081265 -0.026615 -0.008833 0.071822 0.012818 -0.015717 0.093301 -0.006430 -0.017126 0.080191 -0.019930 0.007382 -0.083058 -0.013712 0.019895 -0.071335 0.000197 -0.003681 -0.055679 -0.008441 -0.009596 -0.124936 0.029906 0.005198 0.003906 -0.005590 0.014161 0.007954 -0.000161 -0.009889 0.010821 0.002300 -0.004342 -0.004367 -0.012256 0.019929 0.011959 0.002276 0.024359 -0.006871 0.012504 0.007974 -0.005115 -0.005842 0.018602 0.003091 0.015447 0.007193 0.066080 -0.012912 -0.003385 0.098169 -0.021957 -0.003487 0.097490 -0.005977 0.021715 0.053021 -0.042132 -0.051010 -0.071799 0.047949 -0.017845 -0.083725 0.041733 0.012050 -0.105497 -0.051347 -0.060400 -0.082454 0.011446 0.016753 -0.006336 -0.014081 0.005091 -0.028580 0.020739 0.018933 -0.017309 -0.015662 0.011462 0.025518 0.027164 0.018608 0.012031 -0.000444 0.016528 0.028751 0.017563 -0.003069 0.005647 -0.012661 0.004874 0.005714 -0.006711 -0.004927 -0.014499 -0.017766 -0.008124 0.012510 -0.004290 0.018037 -0.028240 -0.015941 -0.007189 0.019072 -0.003278 0.006701 -0.031303 -0.026872 -0.006579 0.075578 0.001233 0.016151 0.089538 0.002638 -0.024238 0.047473 0.004872 -0.000759 0.111204 0.028058 -0.043761 -0.095552 -0.020931 0.028851 -0.064263 -0.020885 -0.064508 -0.070233 0.046275 0.014392 -0.055784 -0.000312 0.006615 -0.000493 0.010742 -0.007532 -0.001810 0.014710 0.005546 0.002893 -0.004931 0.006983 0.012770 0.007605 0.024340 0.007626 0.019024 0.010768 -0.012635 -0.004129 -0.001223 -0.002885 0.019022 0.015581 -0.002430 -0.013701 -0.027043 0.073290 0.008122 0.012723 0.086350 -0.004997 0.004064 0.072256 -0.010232 0.000231 0.090966 0.006207 -0.033381 -0.103977 0.005373 -0.010395 -0.117914 -0.002008 -0.063987 -0.095777 -0.004078 0.043818 -0.051017 -0.001892 0.009633 0.000018 -0.003298 0.009596 -0.000734 0.009672 0.005062 0.003075 -0.004084 -0.003885 0.017141 0.000036 -0.009282 0.004604 0.002193 0.010362 0.006433 -0.003952 -0.005995 -0.003300 -0.005262 -0.006973 0.010482 -0.007778 -0.003020 0.081355 -0.026430 -0.008964 0.071999 0.013136 -0.016040 0.093413 -0.006494 -0.017297 0.080019 -0.020541 0.008617 -0.081339 -0.012930 0.018733 -0.077917 0.000927 -0.000747 -0.059094 -0.007051 -0.009115 -0.123477 0.011650 0.001931 -0.008809 0.010544 0.005252 0.008699 0.005717 0.012206 0.000391 -0.002393 0.004167 -0.005915 -0.010658 0.005491 -0.005646 0.010717 0.015961 -0.002827 0.014445 0.022878 -0.004717 -0.002840 0.015625 -0.004056 0.015731 0.006901 0.065551 -0.012283 -0.003245 0.098192 -0.021727 -0.003408 0.097940 -0.006101 0.021773 0.053422 -0.037056 -0.048729 -0.076557 0.047373 -0.016254 -0.078492 0.041963 0.016847 -0.100788 -0.050890 -0.055094 -0.076493 0.002643 0.009477 0.008213 0.010449 -0.006001 -0.009971 -0.006348 0.017779 -0.007960 0.004679 -0.002448 0.013998 -0.001196 -0.001909 -0.014499 0.008272 0.008995 0.008320 0.010584 0.012529 0.001744 0.001458 0.021916 0.003037 0.003323 0.014487 -0.006845 -0.016182 -0.005585 0.009400 -0.005872 0.014176 -0.003376 0.001839 0.007915 0.002647 -0.014899 0.019025 0.017547 -0.027070 -0.006635 0.075643 0.001066 0.016066 0.089583 0.002368 -0.024288 0.047563 0.004626 -0.000884 0.111331 0.027408 -0.042849 -0.096581 -0.020739 0.029473 -0.066365 -0.020952 -0.064599 -0.069562 0.046426 0.013894 -0.055809 -0.005854 0.003399 -0.003178 0.018021 -0.010427 -0.002155 0.017157 0.011906 0.003618 -0.004150 0.004389 0.015599 0.003715 0.027699 0.015403 0.018797 0.009223 -0.012804 -0.011939 -0.006219 -0.011816 0.021224 0.014560 -0.004599 -0.013954 -0.027096 0.073231 0.007845 0.012645 0.086519 -0.005212 0.004029 0.072332 -0.010465 0.000210 0.091071 0.006584 -0.032664 -0.104141 0.004844 -0.010989 -0.118398 -0.002639 -0.062967 -0.095347 -0.003540 0.045053 -0.050527 -0.010056 0.009972 0.003947 -0.002638 0.008165 0.002264 0.004724 0.005666 0.003881 -0.001106 -0.003590 0.011780 -0.000471 -0.009038 0.003400 0.004492 0.005239 0.004934 -0.010232 -0.009567 -0.000485 -0.001658 -0.007308 0.013268 -0.008046 -0.003096 0.081463 -0.026689 -0.009021 0.072137 0.012890 -0.016120 0.093556 -0.006802 -0.017340 0.080078 -0.020944 0.008823 -0.080873 -0.013062 0.018512 -0.079057 0.000797 -0.000189 -0.059621 -0.007060 -0.009019 -0.123072 0.008332 0.000190 -0.011614 0.012828 0.003555 0.008949 0.006167 0.016696 -0.001482 -0.003162 0.005784 -0.006025 -0.010981 0.002073 -0.008368 0.011763 0.014779 -0.002067 0.015547 0.026070 -0.005853 -0.002522 0.015893 -0.005064 0.015492 0.006817 0.065552 -0.012446 -0.003248 0.098293 -0.021975 -0.003421 0.098131 -0.006428 0.021760 0.053628 -0.036402 -0.048333 -0.077360 0.046946 -0.015947 -0.077340 0.041749 0.017730 -0.099779 -0.051125 -0.054052 -0.075275 0.002799 0.007728 0.011146 0.016035 -0.008016 -0.006964 -0.011340 0.017924 -0.006126 0.008359 -0.005114 0.012256 -0.006911 -0.004575 -0.018150 0.008585 0.007585 0.004246 0.009147 0.014895 0.001426 0.004265 0.024844 0.002601 0.007125 0.017066 0.005302 -0.014421 -0.000911 0.007384 0.004681 0.016933 -0.000703 0.003756 0.013323 -0.005242 -0.013574 0.016954 0.020287 -0.027063 -0.006527 0.075995 0.001209 0.016175 0.089888 0.002509 -0.024186 0.047842 0.004766 -0.001004 0.111753 0.028807 -0.040643 -0.095923 -0.020660 0.029665 -0.065749 -0.022024 -0.061565 -0.065039 0.048100 0.015960 -0.054311 0.003632 -0.001591 0.000162 0.003302 -0.002516 0.010354 0.007745 -0.000676 -0.003846 0.009515 0.003487 0.002193 0.004287 0.005063 0.007822 0.000158 0.001474 -0.004016 -0.001807 0.005989 -0.001686 0.014309 0.006679 -0.001339 -0.013771 -0.026905 0.073358 0.007929 0.012675 0.087006 -0.005126 0.004018 0.072806 -0.010200 0.000442 0.091338 0.008914 -0.029938 -0.102507 0.004137 -0.013343 -0.115035 -0.005488 -0.061135 -0.093221 -0.000042 0.048793 -0.056912 -0.002058 0.008356 0.005985 -0.001134 0.003948 0.004523 -0.007552 0.000305 0.002343 0.006011 0.006884 -0.009488 -0.002267 -0.000406 0.000294 0.001795 -0.000342 0.006664 -0.007906 0.005135 0.008639 0.005901 0.010098 0.016586 -0.007701 -0.002868 0.081628 -0.026627 -0.008990 0.072410 0.012931 -0.015974 0.093733 -0.006678 -0.017347 0.079930 -0.022309 0.008168 -0.080134 -0.014165 0.020200 -0.081385 0.003449 0.002535 -0.058239 -0.004100 -0.008933 -0.126295 0.006632 0.001905 -0.013761 0.008262 0.004555 -0.002113 0.002376 0.011023 -0.006408 0.006599 0.007777 -0.003182 0.006526 0.017890 -0.005698 0.005485 0.010175 0.001410 0.003694 0.004799 0.001427 0.003634 0.010784 -0.004967 0.015650 0.006885 0.065736 -0.012340 -0.003187 0.098354 -0.021827 -0.003308 0.098523 -0.006401 0.021877 0.054399 -0.033292 -0.045563 -0.073822 0.050166 -0.017183 -0.072459 0.041932 0.020880 -0.095769 -0.051433 -0.051816 -0.074205 0.000315 0.008200 -0.005046 0.006216 0.004093 0.003758 -0.002548 -0.006025 0.007065 0.006161 -0.001822 -0.003586 0.007864 0.013374 -0.008068 -0.001796 0.010963 0.007948 -0.004258 -0.000597 0.004071 0.009600 0.014629 0.006562 -0.006998 0.007234 -0.012786 -0.010009 0.010598 0.001181 0.006737 0.019632 -0.001295 0.006918 0.015428 -0.005595 -0.014594 0.015643 0.010197 -0.026919 -0.006352 0.076052 0.001410 0.016349 0.089891 0.002699 -0.023998 0.047841 0.004973 -0.000938 0.111837 0.029679 -0.039347 -0.095674 -0.020515 0.029890 -0.065461 -0.022505 -0.059772 -0.062745 0.049131 0.017247 -0.053654 0.009089 -0.004516 0.001944 -0.004166 -0.000062 0.015952 0.002056 -0.006263 -0.008059 0.018188 0.002311 -0.004703 0.004485 -0.006529 0.002812 -0.007962 -0.002849 -0.000286 0.003901 0.013242 0.003985 0.009144 0.001558 -0.000331 -0.013556 -0.026675 0.073286 0.008105 0.012819 0.087099 -0.004949 0.004143 0.072892 -0.009961 0.000683 0.091360 0.010263 -0.028346 -0.101771 0.003882 -0.014457 -0.113379 -0.006868 -0.060043 -0.092229 0.001974 0.050949 -0.060636 0.001363 0.006886 0.006874 0.000140 0.002329 0.005144 -0.013885 -0.002793 0.002186 0.009737 0.012983 -0.020770 -0.002864 0.004310 -0.001769 0.001318 -0.002886 0.008394 -0.006725 0.012213 0.013534 0.009929 0.019475 0.018853 -0.007425 -0.002629 0.081612 -0.026476 -0.008851 0.072472 0.013079 -0.015756 0.093721 -0.006507 -0.017227 0.079763 -0.022929 0.007886 -0.079905 -0.014671 0.021293 -0.082789 0.004996 0.004143 -0.057637 -0.002338 -0.008762 -0.128290 0.006861 0.004024 -0.014903 0.005089 0.003836 -0.007887 -0.000751 0.008150 -0.009330 0.011075 0.009662 -0.002819 0.015913 0.026387 -0.003981 0.003112 0.008667 0.003829 -0.002959 -0.007425 0.006505 0.006280 0.008307 -0.004672 0.015860 0.007051 0.065718 -0.012141 -0.003015 0.098195 -0.021640 -0.003124 0.098591 -0.006269 0.022063 0.054632 -0.031562 -0.043934 -0.072032 0.052047 -0.017749 -0.069961 0.042186 0.022687 -0.093768 -0.051494 -0.050506 -0.073770 -0.000006 0.007996 -0.013689 0.002224 0.009880 0.009103 0.001842 -0.017296 0.014926 0.004295 0.001682 -0.011692 0.016165 0.023379 -0.002622 -0.006040 0.013466 0.008710 -0.012166 -0.009845 0.005334 0.010630 0.007783 0.009027 -0.010194 0.007818 -0.013723 -0.012751 0.013799 -0.006517 0.005861 0.010686 0.002484 0.005783 0.017192 -0.009220 -0.015566 0.016723 0.006117 -0.027097 -0.006190 0.076217 0.001273 0.016459 0.089992 0.002502 -0.023767 0.047849 0.004963 -0.000898 0.111730 0.032393 -0.039857 -0.093418 -0.021108 0.031664 -0.064090 -0.022759 -0.056660 -0.066309 0.048720 0.020545 -0.056118 0.005173 -0.005787 0.005068 -0.002032 0.007130 0.007981 0.000082 -0.005076 -0.001935 0.011894 0.000269 -0.006682 -0.000936 -0.011726 0.001145 -0.000172 0.003678 0.002915 0.008257 0.007802 -0.006191 -0.008557 -0.005220 -0.000079 -0.013594 -0.026363 0.073539 0.008014 0.012928 0.087291 -0.005171 0.004268 0.072647 -0.009960 0.000985 0.091315 0.009417 -0.026259 -0.100402 0.005699 -0.011846 -0.113491 -0.005192 -0.056881 -0.095155 0.001051 0.051113 -0.060665 0.005256 -0.005422 0.001795 0.002959 0.007104 0.004036 -0.005710 0.000082 0.002423 0.001740 0.007555 -0.007111 0.000974 0.014392 -0.004155 0.006054 0.004068 -0.004129 0.002981 0.012168 0.003659 -0.000767 0.010858 0.012322 -0.007347 -0.002418 0.081266 -0.026628 -0.008795 0.072453 0.013034 -0.015510 0.093712 -0.006621 -0.017180 0.079529 -0.022441 0.008598 -0.081212 -0.013212 0.024206 -0.085977 0.006787 0.004928 -0.058871 -0.000161 -0.007262 -0.127992 -0.001324 -0.002343 0.007839 0.002902 0.006499 -0.005484 0.004882 -0.000940 -0.004543 0.006848 0.004358 0.002234 0.012682 0.006056 -0.012794 0.000639 0.003538 -0.003476 -0.001756 -0.002763 0.000710 0.006528 0.003768 -0.006297 0.015839 0.007257 0.065838 -0.012247 -0.002918 0.098186 -0.021675 -0.002952 0.098634 -0.006406 0.022242 0.054705 -0.031315 -0.041697 -0.070434 0.056586 -0.018507 -0.072084 0.043294 0.023788 -0.094159 -0.050451 -0.049308 -0.072617 -0.003678 -0.001466 -0.005591 -0.000976 0.009660 0.008107 0.008741 -0.008052 0.009330 -0.002324 0.011425 -0.003846 0.007155 0.013419 0.006815 -0.005125 0.014726 0.006879 0.002669 0.009164 -0.005121 -0.002432 0.002279 0.001598 -0.000138 0.016480 0.001014 -0.016116 0.012976 -0.002038 0.008835 0.008080 0.009877 0.002432 0.014575 0.002672 -0.003825 0.022977 -0.000855 -0.027105 -0.005699 0.076040 0.001302 0.016895 0.089837 0.002485 -0.023226 0.047578 0.005079 -0.000506 0.111387 0.034541 -0.039907 -0.092049 -0.021426 0.033405 -0.063318 -0.022761 -0.053960 -0.069403 0.048533 0.023440 -0.058316 0.001946 -0.006804 0.005723 -0.000573 0.012227 0.000066 -0.000741 -0.002289 0.000396 0.007279 0.000402 -0.008183 -0.005332 -0.013552 -0.000978 0.006054 0.007765 0.005315 0.011334 0.005323 -0.013254 -0.021691 -0.009815 -0.001198 -0.013482 -0.025752 0.073449 0.008084 0.013366 0.087193 -0.005201 0.004737 0.072247 -0.009832 0.001589 0.091003 0.008868 -0.024394 -0.099642 0.007216 -0.009420 -0.113981 -0.003702 -0.054126 -0.097705 0.000434 0.051519 -0.060770 0.006671 -0.012676 -0.000716 0.005772 0.009838 0.002871 -0.000217 0.002106 0.001882 -0.003001 0.005448 0.003707 0.003499 0.021942 -0.005568 0.010607 0.008276 -0.012774 0.011093 0.010881 -0.003690 -0.006544 0.007833 0.007375 -0.007149 -0.001901 0.080767 -0.026616 -0.008387 0.072168 0.013134 -0.014974 0.093426 -0.006560 -0.016785 0.079101 -0.021924 0.009555 -0.082447 -0.011928 0.026801 -0.088623 0.008203 0.005858 -0.060084 0.001534 -0.005712 -0.127942 -0.005402 -0.005574 0.023212 0.000864 0.009031 -0.004534 0.011140 -0.005970 -0.002804 0.003436 0.000434 0.006640 0.009851 -0.007326 -0.019548 -0.001109 0.002500 -0.007360 0.000933 0.000380 -0.004592 0.008143 0.002536 -0.008809 0.015958 0.007777 0.065642 -0.012191 -0.002477 0.097896 -0.021569 -0.002443 0.098459 -0.006377 0.022756 0.054520 -0.031090 -0.039711 -0.069516 0.060081 -0.018680 -0.074148 0.044278 0.024933 -0.094793 -0.049486 -0.048066 -0.072044 -0.007015 -0.008887 0.001136 -0.001309 0.011347 0.006714 0.014349 -0.000258 0.004187 -0.007666 0.019858 0.000315 -0.003828 0.005101 0.013420 -0.004922 0.014844 0.006118 0.012613 0.024254 -0.010930 -0.010884 -0.002034 -0.004442 0.000414 0.001744 0.001365 -0.006058 0.011343 -0.004382 0.002474 -0.002786 0.041370 0.001515 0.013500 0.017569 -0.005030 0.022553 -0.001552 -0.027246 -0.005775 0.076240 0.000882 0.016596 0.089910 0.002137 -0.023244 0.047837 0.004994 -0.000711 0.111375 0.036531 -0.040140 -0.091974 -0.020376 0.036077 -0.063256 -0.021802 -0.055032 -0.070960 0.047170 0.025757 -0.061021 -0.004448 0.001833 0.000057 0.006111 0.003073 -0.004735 -0.001729 0.002403 0.001202 0.001566 -0.002377 -0.008216 -0.012935 0.001901 0.007295 0.000909 0.011006 0.010199 0.004800 0.000100 -0.012991 -0.008564 -0.008910 0.007782 -0.013877 -0.025812 0.073952 0.007837 0.013148 0.087484 -0.005538 0.004423 0.072277 -0.010126 0.001450 0.091197 0.008026 -0.021886 -0.097872 0.008942 -0.007136 -0.113359 -0.002035 -0.051251 -0.095378 0.000406 0.052008 -0.055650 0.000111 -0.003729 -0.003004 0.003277 0.000021 -0.002766 0.002073 0.005275 -0.002754 0.003607 0.001809 0.010106 0.002033 0.015122 0.001211 0.005680 0.004220 -0.010190 0.007076 0.006512 -0.006846 -0.000493 0.002206 -0.005203 -0.007475 -0.002104 0.080742 -0.026966 -0.008553 0.072290 0.012815 -0.015095 0.093577 -0.006840 -0.016972 0.079347 -0.019189 0.011247 -0.085861 -0.010216 0.029143 -0.088153 0.008822 0.005194 -0.059202 0.001681 -0.004229 -0.125614 -0.010276 0.003706 0.009761 0.002651 0.002104 -0.005206 0.004210 -0.003712 0.001478 0.002857 -0.002372 0.000497 0.006288 0.008729 0.008515 -0.000918 0.002141 0.000740 -0.007810 -0.001697 0.005989 0.009005 -0.005244 0.004161 0.015771 0.007715 0.065913 -0.012482 -0.002822 0.098269 -0.021742 -0.002508 0.098564 -0.006631 0.022473 0.054745 -0.030259 -0.038371 -0.068763 0.061105 -0.016374 -0.074582 0.043723 0.025044 -0.091219 -0.048145 -0.047237 -0.070176 0.001138 -0.004768 0.005407 0.000854 0.007229 0.000631 -0.001673 0.006468 -0.000361 0.000749 0.003967 0.003033 -0.012111 -0.005526 0.015325 0.001601 0.005023 -0.000731 0.008864 0.021555 -0.001432 -0.008628 -0.000546 -0.004825 0.013021 0.007302 0.001890 0.010618 0.010423 0.011133 -0.000071 -0.001791 -0.010577 0.011026 0.017867 0.005914 -0.010362 0.023653 -0.013168 -0.027455 -0.005703 0.076243 0.000565 0.016578 0.089874 0.001848 -0.023154 0.047865 0.004802 -0.000702 0.111350 0.037081 -0.040112 -0.092107 -0.020149 0.037124 -0.063390 -0.021590 -0.055340 -0.071647 0.046528 0.026684 -0.062128 -0.006300 0.004341 -0.003013 0.008390 -0.000220 -0.006651 -0.001896 0.004276 0.001467 0.000197 -0.002355 -0.008321 -0.014986 0.007908 0.010101 -0.001904 0.011252 0.011748 0.001286 -0.002192 -0.013212 -0.004084 -0.009067 0.010513 -0.014187 -0.025726 0.074067 0.007599 0.013159 0.087531 -0.005817 0.004409 0.072222 -0.010390 0.001498 0.091213 0.007593 -0.020878 -0.097389 0.009397 -0.006217 -0.113294 -0.001608 -0.050132 -0.094694 0.000262 0.052283 -0.053964 -0.002014 -0.000253 -0.003750 0.002722 -0.004659 -0.003573 0.002245 0.006879 -0.004663 0.005583 0.001067 0.012231 0.002405 0.014443 0.004159 0.004244 0.003332 -0.010744 0.005011 0.004563 -0.007278 0.002329 0.000476 -0.009239 -0.007747 -0.002085 0.080691 -0.027249 -0.008516 0.072276 0.012552 -0.015043 0.093553 -0.007087 -0.016955 0.079384 -0.018352 0.011961 -0.087238 -0.009765 0.030063 -0.088125 0.008882 0.005039 -0.059020 0.001574 -0.003619 -0.124935 -0.012781 0.007404 0.005237 0.003427 0.000284 -0.006062 0.001862 -0.002730 0.002961 0.002772 -0.002664 -0.000096 0.005169 0.015080 0.017293 -0.001561 0.002773 0.002930 -0.012099 -0.002353 0.010757 0.008117 -0.007178 0.007671 0.015546 0.007785 0.065950 -0.012739 -0.002857 0.098314 -0.021948 -0.002435 0.098554 -0.006878 0.022452 0.054782 -0.030100 -0.037794 -0.068654 0.061308 -0.015431 -0.074862 0.043362 0.025189 -0.090079 -0.047821 -0.046841 -0.069663 0.003492 -0.002803 0.006874 0.000834 0.005020 -0.001626 -0.006734 0.009746 -0.001890 0.005009 0.000171 0.002427 -0.015025 -0.007956 0.015747 0.004014 0.002895 -0.002419 0.007071 0.020745 0.002221 -0.006823 -0.000089 -0.006271 0.012619 0.009104 -0.001854 0.013851 0.006507 0.015174 0.009576 -0.001733 -0.017413 0.011199 0.015659 0.001272 -0.005235 0.017644 -0.015391 -0.027337 -0.005584 0.076239 0.000621 0.016768 0.089697 0.002092 -0.022909 0.047660 0.004968 -0.000682 0.111109 0.036886 -0.039513 -0.094301 -0.019240 0.040032 -0.065492 -0.019118 -0.056304 -0.073566 0.047379 0.027875 -0.062633 0.002539 0.008063 -0.004002 -0.005714 0.003641 0.004580 -0.003295 0.000258 -0.000314 0.000170 -0.000768 -0.000774 0.002666 0.004861 -0.001660 -0.011577 0.005289 0.009310 0.000034 0.003582 -0.001689 -0.002863 0.007840 0.003144 -0.014343 -0.025742 0.074124 0.007839 0.013431 0.087519 -0.005677 0.004462 0.072313 -0.010484 0.001633 0.091331 0.009687 -0.018582 -0.094059 0.009559 -0.006428 -0.111621 -0.001896 -0.049235 -0.091477 0.002264 0.053382 -0.054514 0.000998 0.008137 -0.001825 -0.001924 -0.005533 -0.000312 0.004332 -0.000388 -0.003603 0.000884 -0.001678 -0.002801 0.004784 0.004217 0.001644 -0.006721 0.005111 0.003030 0.000965 0.000007 0.001755 0.003983 0.004739 -0.006652 -0.007839 -0.001889 0.080605 -0.027209 -0.008410 0.072311 0.012638 -0.014822 0.093262 -0.007057 -0.016945 0.079463 -0.016778 0.014212 -0.090174 -0.009134 0.031722 -0.086706 0.010137 0.005693 -0.059810 0.001462 -0.002788 -0.125369 0.000948 0.008066 -0.001294 -0.007451 -0.002208 0.002386 -0.002530 0.000529 0.006012 0.000171 0.004058 0.004285 0.002295 0.001091 0.007787 -0.002096 -0.000829 0.001973 0.002626 0.005339 0.003294 -0.004169 0.005538 0.003113 0.015701 0.008051 0.065817 -0.012636 -0.002897 0.098564 -0.021831 -0.002110 0.098346 -0.006862 0.022557 0.054631 -0.029576 -0.035694 -0.066720 0.059728 -0.013362 -0.072575 0.043288 0.025758 -0.089178 -0.046350 -0.045976 -0.072551 0.010215 -0.001940 0.003971 -0.005459 -0.001498 0.005094 -0.003359 0.001239 0.000552 0.001082 -0.002595 -0.002247 -0.002474 -0.007952 0.004330 0.002403 -0.004228 -0.005197 -0.002200 0.010030 0.002061 0.004313 0.010139 -0.003516 0.005110 0.010379 -0.005799 0.016144 0.011043 0.002664 0.013510 -0.012841 -0.007894 0.005217 0.001983 -0.004131 -0.004442 0.021576 0.000478 -0.027093 -0.005605 0.076440 0.000839 0.016764 0.089810 0.002382 -0.022869 0.047775 0.005246 -0.000749 0.111192 0.037028 -0.039339 -0.094944 -0.018655 0.041085 -0.066127 -0.017927 -0.056709 -0.074105 0.047911 0.028242 -0.062589 0.006317 0.009491 -0.003541 -0.011589 0.004846 0.008943 -0.003036 -0.000863 -0.001402 -0.000060 -0.000075 0.002406 0.008894 0.002993 -0.006855 -0.014776 0.003522 0.007533 0.000083 0.007422 0.002069 -0.001937 0.014967 0.000331 -0.014193 -0.025801 0.074345 0.008137 0.013470 0.087699 -0.005435 0.004409 0.072519 -0.010319 0.001634 0.091561 0.010731 -0.017708 -0.092541 0.009814 -0.006556 -0.110694 -0.001840 -0.048938 -0.089970 0.003259 0.053796 -0.054532 0.001973 0.011545 -0.000612 -0.003375 -0.005888 0.001435 0.004847 -0.003407 -0.003191 -0.000554 -0.002887 -0.007787 0.005514 -0.002021 0.000325 -0.010926 0.005105 0.009000 -0.000481 -0.001736 0.005169 0.004611 0.006395 -0.004858 -0.007671 -0.001885 0.080764 -0.027001 -0.008444 0.072483 0.012875 -0.014797 0.093334 -0.006843 -0.017020 0.079672 -0.015951 0.015045 -0.091089 -0.008698 0.032289 -0.085943 0.010847 0.005874 -0.059908 0.001634 -0.002558 -0.125352 0.006225 0.009321 -0.003337 -0.010618 -0.002775 0.005850 -0.003436 0.001786 0.007034 -0.000380 0.006472 0.005675 0.001720 -0.003135 0.004177 -0.001762 -0.003116 0.001581 0.008965 0.007282 0.000520 -0.008921 0.010916 0.000910 0.015959 0.008082 0.065929 -0.012381 -0.002966 0.098847 -0.021573 -0.002054 0.098452 -0.006659 0.022536 0.054761 -0.029151 -0.034878 -0.065739 0.059321 -0.012571 -0.071431 0.043473 0.025951 -0.088623 -0.045569 -0.045669 -0.073492 0.012858 -0.001899 0.003291 -0.007846 -0.005286 0.007938 -0.001857 -0.002398 0.001586 0.000275 -0.003775 -0.004198 0.001646 -0.008154 0.000262 0.001553 -0.007328 -0.005673 -0.006391 0.006120 0.000734 0.008992 0.014389 -0.002224 0.002458 0.016419 -0.010625 0.014791 0.007294 -0.005542 0.010788 -0.015456 -0.001843 0.000830 0.000542 -0.003095 -0.007889 0.021308 -0.000491 -0.026975 -0.005707 0.076156 0.000779 0.016724 0.089727 0.002455 -0.022936 0.047508 0.005302 -0.000917 0.110972 0.037118 -0.039835 -0.095227 -0.018382 0.042677 -0.067539 -0.015681 -0.055895 -0.075510 0.049287 0.028897 -0.059841 -0.001735 -0.001751 0.002175 -0.002462 0.001499 0.002846 0.000401 0.005759 -0.001656 -0.005454 0.002390 0.007160 0.003321 0.006162 -0.003072 -0.003249 0.004326 -0.002570 -0.005565 0.009721 0.001083 0.004632 0.012365 -0.000827 -0.014209 -0.026053 0.074139 0.008297 0.013502 0.087343 -0.005384 0.004152 0.072437 -0.010419 0.001650 0.091756 0.012338 -0.017875 -0.092549 0.011091 -0.006475 -0.110186 -0.000957 -0.049526 -0.088298 0.002957 0.055103 -0.050791 -0.000347 0.003023 -0.001716 0.001410 0.000506 0.001404 0.005323 -0.000389 0.002377 -0.003462 -0.005187 -0.009232 0.002848 0.004111 -0.008183 -0.006171 -0.000117 0.007280 -0.000613 0.001671 0.002783 0.002911 0.000396 -0.002870 -0.007720 -0.001952 0.080617 -0.026911 -0.008505 0.072657 0.012954 -0.014858 0.093293 -0.006784 -0.017234 0.079670 -0.015061 0.016214 -0.088208 -0.007414 0.032898 -0.085699 0.010497 0.007992 -0.061720 0.000571 -0.001150 -0.123037 0.001516 -0.001132 0.000393 -0.003701 0.001707 0.001355 -0.000556 0.005291 0.004377 -0.004511 -0.001815 -0.000022 -0.008457 -0.004037 -0.003783 0.006723 0.000255 0.001132 0.004055 0.006276 -0.000697 -0.005445 0.002779 0.003112 0.016043 0.008010 0.065705 -0.012277 -0.003255 0.098858 -0.021541 -0.002101 0.098272 -0.006664 0.022487 0.054485 -0.029872 -0.034912 -0.063427 0.058521 -0.011443 -0.071036 0.043990 0.026949 -0.091192 -0.045558 -0.044046 -0.073437 -0.002858 0.005027 0.000245 0.002129 -0.001875 -0.001370 0.004352 0.000448 0.001137 -0.006001 0.000314 -0.000433 0.005964 0.007211 -0.000953 -0.001929 0.002083 -0.002472 -0.004138 -0.005161 -0.002890 0.008076 -0.002606 0.001289 -0.016125 0.009938 -0.002669 0.004278 0.001056 -0.003698 0.001808 -0.010235 0.007710 0.009813 0.011393 -0.000872 0.012828 0.016020 0.006226 -0.026935 -0.005565 0.075721 0.000761 0.016888 0.089335 0.002485 -0.022775 0.047074 0.005336 -0.000788 0.110515 0.037161 -0.039805 -0.095605 -0.018283 0.043343 -0.068292 -0.014949 -0.055382 -0.076270 0.049740 0.029266 -0.059237 -0.004427 -0.003507 0.003307 -0.000299 0.000399 0.000258 0.001743 0.008686 -0.001954 -0.007028 0.003422 0.008190 0.000767 0.007496 -0.002452 0.001838 0.004147 -0.006149 -0.008367 0.010099 -0.000519 0.006576 0.011592 -0.002008 -0.014210 -0.025956 0.073709 0.008373 0.013696 0.086885 -0.005359 0.004247 0.072053 -0.010455 0.001832 0.091443 0.012857 -0.017743 -0.092920 0.011506 -0.006232 -0.110345 -0.000653 -0.049551 -0.088095 0.002826 0.055747 -0.049859 -0.001759 0.000830 -0.001982 0.003289 0.002679 0.001178 0.005752 0.000640 0.004128 -0.004476 -0.005478 -0.009711 0.001268 0.006726 -0.010986 -0.004292 -0.000527 0.005806 -0.002138 0.001221 0.000108 0.002153 -0.001373 -0.002223 -0.007717 -0.001791 0.080205 -0.026877 -0.008353 0.072336 0.012985 -0.014697 0.092917 -0.006755 -0.017131 0.079301 -0.014760 0.016772 -0.087533 -0.006979 0.033260 -0.085949 0.010389 0.008877 -0.062616 0.000240 -0.000528 -0.122583 0.000324 -0.003951 0.001059 -0.001421 0.003774 -0.000149 0.000499 0.006499 0.002644 -0.005553 -0.004590 -0.002018 -0.012394 -0.003631 -0.007986 0.008779 0.000452 0.000747 0.002971 0.006746 -0.000724 -0.003772 0.000173 0.004055 0.016078 0.008165 0.065253 -0.012234 -0.003169 0.098508 -0.021521 -0.001937 0.097841 -0.006657 0.022648 0.054014 -0.030095 -0.034766 -0.062981 0.058310 -0.010879 -0.071254 0.044187 0.027476 -0.092361 -0.045547 -0.043308 -0.073697 -0.007800 0.007475 -0.001104 0.005649 -0.000515 -0.003734 0.006269 0.001676 0.000765 -0.007445 0.001475 0.000341 0.007994 0.012898 -0.001888 -0.003202 0.005235 -0.002202 -0.003725 -0.009044 -0.007279 0.007885 -0.006326 0.002114 -0.018017 -0.001596 0.012565 0.000934 -0.002654 -0.004723 0.006881 -0.006394 0.009657 0.005686 0.012444 0.004908 0.015605 0.010938 0.020449 -0.026798 -0.005787 0.075670 0.000589 0.016601 0.089332 0.002430 -0.023019 0.047129 0.005397 -0.001008 0.110495 0.038046 -0.040239 -0.094646 -0.017421 0.043387 -0.067676 -0.014524 -0.053707 -0.072702 0.050521 0.029575 -0.057808 -0.003876 -0.004285 0.002180 0.005337 -0.004233 -0.008804 -0.001572 0.003275 0.000547 -0.004030 0.003807 0.003369 -0.004278 0.003183 -0.001032 0.009004 0.004996 -0.007003 -0.003966 0.009625 0.009529 0.003665 0.000013 0.002607 -0.014083 -0.026232 0.073691 0.008390 0.013476 0.086611 -0.005369 0.003825 0.071889 -0.010475 0.001671 0.091703 0.012008 -0.018932 -0.096361 0.012062 -0.004692 -0.109525 0.002208 -0.049750 -0.088177 0.002386 0.056937 -0.046696 -0.000286 0.000696 -0.003100 0.002238 0.003913 -0.002531 -0.004999 0.002957 -0.002267 0.003264 0.002981 0.003056 -0.008326 -0.003503 0.000214 0.006467 -0.001126 0.000937 0.007435 0.006388 -0.000989 -0.005770 -0.002985 -0.001053 -0.007597 -0.002019 0.080262 -0.026809 -0.008568 0.072616 0.012887 -0.014938 0.092840 -0.006624 -0.017456 0.079226 -0.015242 0.017695 -0.086100 -0.006490 0.033631 -0.084315 0.010194 0.009846 -0.062448 -0.000195 0.001160 -0.124032 -0.003917 -0.002738 -0.001693 0.005141 -0.000893 -0.000575 -0.000333 0.004574 -0.001860 -0.002587 -0.002959 -0.003731 -0.008338 0.002614 -0.002819 0.002049 0.004314 0.000639 -0.004989 0.001024 0.004542 -0.002631 -0.001639 -0.000275 0.015968 0.007882 0.065229 -0.012178 -0.003516 0.098520 -0.021405 -0.002211 0.097574 -0.006611 0.022441 0.054058 -0.030509 -0.034978 -0.063162 0.057591 -0.010054 -0.071189 0.044697 0.029498 -0.092344 -0.045730 -0.042288 -0.072645 -0.008002 0.007623 -0.001959 0.002510 0.000350 -0.005249 0.000072 0.000827 -0.005054 0.001700 0.004147 0.002719 0.008058 0.016415 0.000194 -0.003847 0.011690 0.005306 0.001721 -0.014560 -0.000074 -0.002872 -0.009783 0.002722 -0.015588 0.011327 0.008096 0.001406 -0.002575 -0.000541 0.002964 -0.002131 0.002812 0.003748 0.012998 0.008122 0.016118 0.005442 -0.003998 -0.027200 -0.005375 0.075811 0.000058 0.016996 0.089497 0.001943 -0.022624 0.047286 0.004957 -0.000597 0.110612 0.037992 -0.039874 -0.094077 -0.017508 0.043905 -0.067200 -0.014801 -0.052390 -0.070911 0.050409 0.030214 -0.057037 -0.004273 -0.004269 0.001753 0.007360 -0.006936 -0.012460 -0.003221 0.002863 0.001135 -0.002594 0.004828 0.001748 -0.006200 0.001726 0.000010 0.011705 0.005995 -0.007823 -0.001979 0.011776 0.013523 0.003549 -0.005043 0.005725 -0.014517 -0.025872 0.073852 0.007954 0.013881 0.086641 -0.005842 0.004143 0.071996 -0.010955 0.002104 0.091952 0.011121 -0.018979 -0.097808 0.011805 -0.003496 -0.109043 0.003034 -0.049351 -0.088126 0.001720 0.057971 -0.045195 0.001186 0.000895 -0.003453 0.001626 0.004225 -0.003853 -0.008818 0.005408 -0.005021 0.005883 0.006409 0.008149 -0.013625 -0.009053 0.005088 0.011221 -0.000349 -0.000794 0.010877 0.007754 -0.000728 -0.009765 -0.003041 -0.001102 -0.008011 -0.001624 0.080421 -0.027237 -0.008153 0.072882 0.012403 -0.014540 0.092968 -0.007021 -0.017094 0.079373 -0.015922 0.018634 -0.085346 -0.006740 0.034300 -0.083412 0.009671 0.010776 -0.062208 -0.000803 0.002440 -0.124624 -0.006221 -0.000611 -0.002911 0.006737 -0.001371 -0.000698 -0.001889 0.003548 -0.004205 -0.001846 -0.001489 -0.004147 -0.005570 0.005923 -0.000272 -0.001692 0.005750 0.000384 -0.009142 -0.001404 0.006255 -0.001121 -0.001260 -0.000587 0.015486 0.008252 0.065360 -0.012600 -0.003178 0.098680 -0.021810 -0.001837 0.097658 -0.007056 0.022832 0.054217 -0.031116 -0.034593 -0.063148 0.056855 -0.009209 -0.071060 0.044486 0.030902 -0.092161 -0.046259 -0.041355 -0.072044 -0.008276 0.008262 -0.001783 0.000277 0.001660 -0.005596 -0.002748 0.001088 -0.007535 0.005713 0.004768 0.004637 0.007199 0.017129 0.001292 -0.004434 0.014629 0.010252 0.003536 -0.016820 0.002356 -0.008046 -0.009696 0.000872 -0.001241 0.005804 0.010968 -0.003467 -0.009131 -0.009391 0.008251 -0.002536 -0.001540 0.002211 0.009945 -0.003405 0.024345 -0.004582 -0.002648 -0.026928 -0.006089 0.075944 0.000281 0.016255 0.089662 0.002329 -0.023440 0.047293 0.005330 -0.001338 0.110527 0.038722 -0.039200 -0.092926 -0.016120 0.043126 -0.067686 -0.015209 -0.051038 -0.067889 0.051504 0.030170 -0.058168 0.004230 -0.000285 -0.000889 -0.000606 0.001574 -0.002695 -0.000724 -0.004749 0.005052 -0.001319 0.006601 -0.000247 0.006289 -0.001245 -0.005380 0.001252 -0.006477 -0.005246 0.000139 -0.000917 0.011935 -0.002170 -0.004663 0.002567 -0.014108 -0.026668 0.073944 0.008320 0.013169 0.086681 -0.005496 0.003358 0.072080 -0.010655 0.001425 0.092013 0.011935 -0.018844 -0.098315 0.010716 -0.003188 -0.109943 0.004079 -0.049434 -0.090251 0.003447 0.058194 -0.048458 -0.000170 -0.000896 0.004007 -0.006368 0.006496 0.002877 -0.004942 -0.001978 0.000715 -0.001308 0.007360 0.006469 -0.002849 -0.008146 0.005387 0.009127 -0.005581 -0.005662 -0.000021 0.002278 -0.005521 -0.001738 0.009433 -0.003030 -0.007628 -0.002285 0.080697 -0.026869 -0.008830 0.073186 0.012672 -0.015253 0.092881 -0.006655 -0.017910 0.079452 -0.016611 0.018689 -0.085588 -0.007152 0.034617 -0.082091 0.010368 0.010055 -0.061517 -0.000433 0.003004 -0.127266 -0.000719 -0.000984 -0.002079 -0.000014 -0.000477 0.003699 -0.001049 -0.004290 -0.004324 -0.001514 0.005687 0.000595 0.005754 -0.002116 -0.003285 -0.010428 0.001759 -0.000504 -0.001262 0.000740 -0.000624 -0.000072 0.010245 -0.008585 0.015666 0.007365 0.065330 -0.012306 -0.003882 0.098876 -0.021367 -0.002584 0.097576 -0.006719 0.022118 0.054305 -0.029249 -0.034413 -0.063024 0.056671 -0.008876 -0.070236 0.043960 0.032347 -0.094201 -0.045482 -0.040301 -0.073900 0.004311 -0.003607 0.002352 -0.004812 0.001749 0.001833 -0.001125 -0.000856 -0.006335 0.004517 0.000052 -0.001892 -0.000097 0.001225 -0.005326 0.001916 -0.002587 0.001490 -0.000011 0.006941 0.000420 -0.002148 0.005537 0.001723 0.008329 0.006693 0.003650 -0.001013 0.003019 0.012456 -0.016258 0.013265 -0.016975 0.001613 0.013977 0.004630 0.008249 0.004905 0.007756 -0.026839 -0.006141 0.075848 0.000380 0.016239 0.089546 0.002381 -0.023478 0.047191 0.005390 -0.001363 0.110450 0.038758 -0.039409 -0.093080 -0.016176 0.043047 -0.067668 -0.015053 -0.051350 -0.068241 0.051497 0.030014 -0.058099 0.003351 -0.001006 -0.000688 0.000254 0.000349 -0.003868 -0.000937 -0.004080 0.004473 -0.001377 0.006180 0.000011 0.004112 -0.000702 -0.004763 0.002264 -0.005236 -0.006050 0.000030 0.000155 0.011865 -0.001209 -0.004481 0.002956 -0.014062 -0.026690 0.073872 0.008385 0.013099 0.086590 -0.005446 0.003340 0.072001 -0.010581 0.001368 0.091931 0.011935 -0.018998 -0.098302 0.010920 -0.003384 -0.109857 0.004041 -0.049592 -0.090089 0.003378 0.058018 -0.048153 0.000300 0.000593 0.002718 -0.005664 0.005829 0.002106 -0.005079 -0.001148 0.000204 -0.000235 0.007350 0.006943 -0.004212 -0.007615 0.005456 0.009400 -0.005345 -0.005051 0.001497 0.002593 -0.004929 -0.002833 0.008133 -0.003168 -0.007587 -0.002347 0.080563 -0.026811 -0.008876 0.073063 0.012767 -0.015292 0.092821 -0.006601 -0.017922 0.079359 -0.016445 0.018527 -0.085590 -0.007041 0.034449 -0.082257 0.010399 0.009964 -0.061612 -0.000363 0.002798 -0.127044 -0.001332 -0.000611 -0.002168 0.000903 -0.000850 0.003112 -0.001585 -0.002847 -0.004062 -0.001491 0.004591 -0.000126 0.004449 -0.000765 -0.002802 -0.009218 0.001876 -0.000304 -0.002313 0.000453 0.000264 -0.000127 0.009018 -0.007684 0.015787 0.007373 0.065246 -0.012232 -0.003941 0.098759 -0.021322 -0.002610 0.097527 -0.006648 0.022043 0.054214 -0.029352 -0.034568 -0.063075 0.056808 -0.009093 -0.070336 0.044108 0.032039 -0.094011 -0.045478 -0.040592 -0.073752 0.001735 -0.001628 0.001546 -0.004164 0.001359 0.000777 -0.001318 -0.000801 -0.006666 0.004760 0.000011 -0.001264 0.000683 0.002705 -0.004357 0.001471 0.000131 0.002582 0.000477 0.003787 0.000062 -0.002709 0.003430 0.001472 0.002979 0.005589 0.006285 -0.001457 0.002326 0.011549 -0.012575 0.016627 -0.014196 0.002623 0.014424 0.005459 0.009648 0.002932 0.004491 -0.027134 -0.005946 0.075752 0.000086 0.016347 0.089507 0.002140 -0.023286 0.047009 0.005141 -0.001241 0.110314 0.038214 -0.037742 -0.092589 -0.016414 0.044077 -0.068252 -0.016565 -0.050459 -0.068369 0.050753 0.031234 -0.057176 -0.000977 0.004239 -0.001067 0.000873 0.005453 -0.001767 0.001837 0.000055 0.002407 -0.001260 0.003748 0.001876 -0.001508 0.004153 0.002400 -0.001132 -0.001246 -0.002041 0.000119 -0.006945 0.005369 -0.004821 -0.001386 -0.003259 -0.014288 -0.026529 0.073807 0.008087 0.013287 0.086560 -0.005749 0.003495 0.072096 -0.010954 0.001597 0.091674 0.012615 -0.017563 -0.096516 0.010164 -0.003527 -0.111759 0.001794 -0.049360 -0.090357 0.003665 0.058799 -0.051735 -0.005345 -0.003910 0.004671 -0.000253 0.003993 0.002891 -0.000844 -0.000621 0.003759 -0.003782 -0.000909 -0.002785 0.006244 0.001697 0.003385 -0.000627 0.006550 0.001910 -0.005244 -0.004940 0.002334 0.000299 0.003099 0.002532 -0.007902 -0.002162 0.080458 -0.027019 -0.008687 0.073008 0.012449 -0.015067 0.092641 -0.007019 -0.017785 0.079418 -0.016571 0.018255 -0.085616 -0.007603 0.035476 -0.082975 0.010183 0.010354 -0.060550 -0.000668 0.002729 -0.125360 0.002509 -0.000525 -0.003220 -0.000693 0.000542 -0.001638 -0.001907 -0.000743 -0.001025 -0.001457 0.001867 0.000212 0.001179 -0.003955 -0.004922 0.000839 0.004190 0.003401 0.006677 0.001873 -0.005846 -0.000701 0.002552 -0.000636 0.015437 0.007376 0.064965 -0.012385 -0.003711 0.098646 -0.021599 -0.002361 0.097507 -0.007017 0.022281 0.054119 -0.028416 -0.034305 -0.063870 0.056908 -0.008230 -0.070176 0.043787 0.032076 -0.095785 -0.045791 -0.039710 -0.073672 0.000051 -0.003072 -0.002621 0.001480 0.003590 -0.000767 0.001861 0.000846 -0.000170 -0.002278 -0.001055 -0.001387 -0.000266 0.003562 -0.000900 -0.000121 -0.001343 -0.000726 -0.002385 0.004688 -0.001901 0.001746 0.002922 0.003553 0.007594 0.008931 0.003996 -0.001600 -0.003818 -0.004853 -0.006312 -0.005787 0.011684 0.009306 0.012122 -0.004871 0.002566 0.009871 -0.002703 -0.026989 -0.005734 0.075662 0.000231 0.016564 0.089405 0.002284 -0.023075 0.046901 0.005286 -0.001011 0.110210 0.038301 -0.037203 -0.092516 -0.016253 0.044493 -0.068459 -0.016725 -0.050096 -0.068427 0.050799 0.031693 -0.056984 -0.001661 0.005575 -0.001306 0.000873 0.006954 -0.001147 0.002562 0.001197 0.001992 -0.001261 0.003805 0.002353 -0.002413 0.005831 0.003515 -0.001941 0.000192 -0.001296 0.000226 -0.007801 0.004218 -0.005348 -0.000385 -0.004631 -0.014134 -0.026297 0.073723 0.008228 0.013512 0.086463 -0.005615 0.003732 0.072008 -0.010813 0.001836 0.091565 0.012992 -0.017026 -0.096112 0.010193 -0.003426 -0.112236 0.001429 -0.049131 -0.090461 0.003960 0.059177 -0.052668 -0.006333 -0.004192 0.005146 0.001314 0.004042 0.003046 0.000244 -0.000285 0.004501 -0.004002 -0.002456 -0.004774 0.008584 0.003695 0.002402 -0.002517 0.008734 0.003732 -0.006769 -0.007578 0.003908 0.001122 0.001880 0.002760 -0.007777 -0.001940 0.080366 -0.026874 -0.008466 0.072943 0.012601 -0.014828 0.092525 -0.006890 -0.017559 0.079329 -0.016383 0.018329 -0.085671 -0.007532 0.035899 -0.083196 0.010360 0.010618 -0.060317 -0.000539 0.002888 -0.124988 0.003386 -0.000247 -0.003613 -0.000802 0.001298 -0.002533 -0.001993 0.000171 -0.000499 -0.000797 0.001276 0.000291 0.000954 -0.004284 -0.004987 0.003071 0.005059 0.004071 0.007995 0.002398 -0.006925 -0.000658 0.001890 0.000332 0.015582 0.007606 0.064860 -0.012249 -0.003477 0.098565 -0.021461 -0.002130 0.097409 -0.006872 0.022497 0.054013 -0.027951 -0.034047 -0.064105 0.057147 -0.007854 -0.070143 0.043909 0.032260 -0.096274 -0.045665 -0.039329 -0.073701 0.000395 -0.003175 -0.003500 0.003881 0.004228 -0.001395 0.002550 0.001531 0.002112 -0.003425 -0.000847 -0.001506 -0.000941 0.003736 -0.000005 -0.000276 -0.001086 -0.001374 -0.002689 0.005471 -0.002343 0.002925 0.003179 0.003939 0.007512 0.011355 0.006417 -0.002111 -0.004810 -0.015349 -0.002453 -0.012347 0.018563 0.005921 0.004901 -0.002209 -0.007707 0.002618 -0.003595 -0.027040 -0.005971 0.075711 0.000180 0.016343 0.089449 0.002222 -0.023320 0.046967 0.005219 -0.001229 0.110269 0.038270 -0.037557 -0.092514 -0.016299 0.044130 -0.068401 -0.016649 -0.050414 -0.068365 0.050790 0.031395 -0.057002 -0.001256 0.004806 -0.001177 0.001125 0.006043 -0.001819 0.002235 0.000464 0.002365 -0.001350 0.003808 0.002194 -0.001914 0.005016 0.002819 -0.001334 -0.000693 -0.002132 0.000187 -0.007457 0.005252 -0.005129 -0.001012 -0.003730 -0.014202 -0.026527 0.073774 0.008178 0.013279 0.086505 -0.005666 0.003508 0.072033 -0.010853 0.001602 0.091633 0.012885 -0.017421 -0.096232 0.010147 -0.003682 -0.112031 0.001512 -0.049414 -0.090400 0.003881 0.058913 -0.052277 -0.005868 -0.004111 0.004915 0.000217 0.004058 0.003094 -0.000397 -0.000537 0.004163 -0.003937 -0.001441 -0.003503 0.007210 0.002585 0.003325 -0.001195 0.007571 0.002559 -0.005840 -0.006381 0.002516 0.000287 0.002437 0.002631 -0.007831 -0.002177 0.080414 -0.026942 -0.008699 0.072989 0.012553 -0.015071 0.092577 -0.006923 -0.017785 0.079362 -0.016428 0.018102 -0.085623 -0.007551 0.035550 -0.083100 0.010298 0.010376 -0.060373 -0.000592 0.002658 -0.125079 0.002885 -0.000477 -0.003439 -0.000618 0.000860 -0.001965 -0.002002 -0.000344 -0.000831 -0.001449 0.001636 0.000234 0.001143 -0.004279 -0.004615 0.001855 0.004577 0.003914 0.007519 0.002253 -0.006369 -0.000710 0.002341 -0.000618 0.015544 0.007405 0.064904 -0.012334 -0.003716 0.098612 -0.021517 -0.002364 0.097439 -0.006911 0.022254 0.054067 -0.028103 -0.034317 -0.063970 0.057057 -0.008152 -0.070112 0.043850 0.032034 -0.096092 -0.045719 -0.039625 -0.073671 -0.000054 -0.003070 -0.003014 0.002709 0.004015 -0.001135 0.002170 0.001052 0.001401 -0.002724 -0.001015 -0.001423 -0.000089 0.003931 -0.000332 -0.000208 -0.001236 -0.000847 -0.002527 0.005060 -0.002299 0.002372 0.003046 0.003839 0.007576 0.009924 0.004999 -0.003562 -0.004809 -0.009859 -0.006619 -0.004651 0.011984 0.007974 0.005142 -0.002767 0.000289 0.010780 -0.001786 -0.026755 -0.005648 0.075373 0.000292 0.016466 0.089231 0.002456 -0.023040 0.046481 0.005513 -0.000942 0.110084 0.038605 -0.035290 -0.092763 -0.016433 0.045682 -0.067045 -0.018074 -0.049140 -0.068930 0.049917 0.032394 -0.056738 -0.002520 0.002816 0.002186 -0.001889 0.001534 0.002304 0.000106 0.004120 -0.002118 0.000732 0.000200 -0.000322 -0.002828 0.000891 0.001943 -0.001964 0.002638 0.000881 0.000745 0.000375 0.003951 0.003214 0.000902 -0.002622 -0.013912 -0.026283 0.073728 0.008425 0.013565 0.086217 -0.005466 0.003674 0.071866 -0.010702 0.001866 0.091154 0.012473 -0.016337 -0.095826 0.010127 -0.003391 -0.113326 0.000921 -0.048810 -0.090437 0.004214 0.059322 -0.055470 -0.002333 -0.000274 0.004197 0.002880 -0.001702 0.001026 0.000134 0.000724 0.001664 -0.000251 -0.001372 -0.005606 0.003613 0.003940 0.000264 -0.003188 0.002434 0.000382 -0.004378 0.001815 0.002360 0.002131 0.001832 -0.000072 -0.007587 -0.001946 0.080041 -0.026626 -0.008438 0.072686 0.012754 -0.014814 0.092221 -0.006711 -0.017572 0.079211 -0.016049 0.018405 -0.086231 -0.007024 0.036363 -0.084374 0.010789 0.011637 -0.059590 -0.000042 0.002447 -0.124030 0.001964 0.000654 -0.002672 0.000956 0.001104 -0.002371 -0.001474 0.002870 0.002232 0.002859 -0.001708 -0.001484 0.000345 0.007007 0.002879 0.006678 0.000520 0.001567 -0.003088 0.000575 -0.000386 0.001295 0.000462 0.002299 0.015781 0.007542 0.064410 -0.011996 -0.003504 0.098221 -0.021285 -0.002061 0.097192 -0.006684 0.022526 0.053814 -0.027426 -0.033672 -0.066244 0.058150 -0.007754 -0.071797 0.044501 0.031203 -0.095170 -0.045409 -0.039622 -0.073272 -0.001923 0.002674 -0.003298 0.001955 0.000960 -0.002017 -0.003127 0.002296 0.004198 -0.001754 0.000953 0.001235 -0.001084 0.000794 0.000100 0.001356 0.001286 -0.000496 -0.000355 0.003410 -0.002891 0.002177 0.000886 0.001328 -0.003974 0.014684 0.005647 -0.001284 0.000548 -0.004003 0.000180 -0.015842 -0.006345 -0.000294 -0.007493 0.000120 -0.002349 -0.002339 0.013251 -0.026765 -0.005704 0.075458 0.000309 0.016448 0.089272 0.002451 -0.023084 0.046540 0.005504 -0.000963 0.110126 0.038625 -0.035137 -0.092720 -0.016451 0.045759 -0.066835 -0.018256 -0.049060 -0.068859 0.049777 0.032446 -0.056600 -0.002679 0.002738 0.002483 -0.001990 0.001395 0.002507 0.000004 0.004324 -0.002263 0.000820 0.000191 -0.000352 -0.003044 0.000632 0.001984 -0.002000 0.002783 0.000985 0.000708 0.000601 0.004265 0.003754 0.000975 -0.002455 -0.013905 -0.026313 0.073789 0.008426 0.013529 0.086282 -0.005480 0.003660 0.071922 -0.010703 0.001850 0.091211 0.012401 -0.016329 -0.095677 0.010058 -0.003475 -0.113354 0.000808 -0.048825 -0.090331 0.004222 0.059304 -0.055670 -0.002172 -0.000175 0.004323 0.003283 -0.002124 0.000520 0.000068 0.000772 0.001618 -0.000050 -0.001263 -0.005631 0.002893 0.004187 0.000052 -0.003160 0.002184 0.000262 -0.004395 0.002316 0.002355 0.002125 0.001943 -0.000208 -0.007610 -0.001962 0.080102 -0.026648 -0.008477 0.072749 0.012787 -0.014831 0.092252 -0.006704 -0.017596 0.079249 -0.016019 0.018350 -0.086211 -0.006965 0.036352 -0.084393 0.010841 0.011714 -0.059406 0.000007 0.002356 -0.123841 0.001919 0.000787 -0.002709 0.001122 0.001076 -0.002285 -0.001612 0.003075 0.002405 0.003061 -0.001899 -0.001567 0.000287 0.007583 0.003369 0.007072 0.000412 0.001709 -0.003624 0.000512 0.000059 0.001375 0.000453 0.002351 0.015783 0.007530 0.064462 -0.012022 -0.003524 0.098296 -0.021290 -0.002097 0.097229 -0.006673 0.022475 0.053849 -0.027359 -0.033682 -0.066386 0.058256 -0.007800 -0.071868 0.044570 0.031046 -0.094984 -0.045396 -0.039725 -0.073157 -0.002050 0.003017 -0.003257 0.001900 0.000893 -0.002059 -0.003438 0.002379 0.004416 -0.001659 0.001058 0.001511 -0.001064 0.000916 0.000366 0.001593 0.000876 -0.000537 -0.000250 0.003308 -0.003014 0.001725 0.000745 0.000862 -0.004102 0.011897 0.002482 -0.001161 0.000743 -0.003602 0.000058 -0.015683 -0.006839 0.000028 -0.006544 0.000117 -0.001926 -0.001316 0.013281 -0.026661 -0.005849 0.075310 0.000213 0.016151 0.089175 0.002429 -0.023276 0.046253 0.005574 -0.001115 0.109948 0.038843 -0.034368 -0.092643 -0.017109 0.046734 -0.064931 -0.018907 -0.048093 -0.069336 0.049048 0.032410 -0.057406 0.000768 -0.001379 0.001746 -0.003602 -0.000112 0.002798 0.000969 0.002128 -0.000484 -0.000589 -0.001655 -0.000337 0.001261 -0.002836 -0.000239 -0.000803 0.003852 0.000902 0.002282 0.003797 0.003561 0.002020 0.003070 -0.000916 -0.013796 -0.026560 0.073970 0.008460 0.013370 0.086145 -0.005514 0.003418 0.071647 -0.010650 0.001656 0.091070 0.011002 -0.016497 -0.095993 0.009572 -0.002592 -0.113464 0.001614 -0.048409 -0.091431 0.003736 0.058994 -0.056696 0.005910 0.003241 0.000182 0.000298 -0.001884 -0.002232 0.000045 -0.000571 -0.002648 0.000437 0.001130 0.001510 -0.000809 0.000803 -0.000967 0.000188 -0.001053 -0.002110 0.001989 0.004545 -0.001053 -0.000290 0.000706 -0.000467 -0.007533 -0.002127 0.079955 -0.026534 -0.008705 0.072625 0.012776 -0.015042 0.092013 -0.006674 -0.017775 0.079054 -0.016361 0.018758 -0.086539 -0.006673 0.036522 -0.085352 0.011446 0.011819 -0.059724 0.000920 0.002657 -0.123824 -0.000083 0.003125 0.001841 -0.000322 0.001486 0.002285 0.001863 0.001380 0.000036 0.001175 0.000210 0.000604 0.001387 -0.000448 -0.001447 0.002474 -0.000472 -0.003088 -0.001732 0.003148 -0.000486 0.000172 0.002260 0.001139 0.015786 0.007226 0.064238 -0.011989 -0.003735 0.098094 -0.021233 -0.002332 0.097180 -0.006660 0.022318 0.053710 -0.027764 -0.032783 -0.066661 0.059047 -0.008489 -0.073728 0.044577 0.029939 -0.092688 -0.044755 -0.040273 -0.072813 0.002929 0.001799 0.001123 -0.003396 -0.000344 0.000916 -0.002944 0.002047 0.000956 0.000054 0.002092 0.002256 0.001945 -0.001130 0.004105 -0.002381 0.003538 0.004974 0.001251 -0.004281 0.006507 -0.002412 0.002574 -0.002001 -0.012793 -0.004216 -0.012497 -0.000808 0.008369 0.004404 0.000822 0.001338 0.011401 0.005341 -0.004388 0.007406 -0.008844 0.004179 -0.006841 -0.026786 -0.005843 0.075252 0.000197 0.016238 0.089064 0.002380 -0.023255 0.046251 0.005488 -0.001098 0.109856 0.038717 -0.034623 -0.092826 -0.017030 0.046507 -0.065506 -0.018797 -0.048341 -0.069332 0.049150 0.032339 -0.057364 -0.000079 -0.000479 0.001778 -0.003285 0.000149 0.002662 0.000912 0.002486 -0.001052 -0.000399 -0.001341 -0.000456 -0.000347 -0.002190 0.000214 -0.001099 0.003385 0.000722 0.002125 0.003198 0.004126 0.002230 0.002235 -0.001323 -0.013907 -0.026494 0.073732 0.008382 0.013394 0.086062 -0.005554 0.003491 0.071648 -0.010747 0.001693 0.090999 0.011229 -0.016512 -0.096041 0.009608 -0.002840 -0.113567 0.001409 -0.048529 -0.091310 0.003779 0.058994 -0.056535 0.003296 0.001338 0.001062 0.001129 -0.002052 -0.001732 -0.000122 -0.000465 -0.001791 0.000223 0.000275 -0.000487 0.000161 0.001614 -0.001361 -0.001488 0.000042 -0.001608 0.000298 0.003509 -0.000499 0.000272 0.000842 -0.000380 -0.007648 -0.002104 0.079904 -0.026657 -0.008654 0.072559 0.012734 -0.014985 0.091988 -0.006766 -0.017749 0.079012 -0.016373 0.018654 -0.086599 -0.006821 0.036416 -0.085224 0.011256 0.011756 -0.059808 0.000676 0.002545 -0.124037 0.000264 0.002248 0.000595 0.000059 0.001361 0.000869 0.000765 0.001826 0.000626 0.001513 -0.000507 -0.000038 0.000818 0.001451 -0.000427 0.004189 0.000056 -0.001541 -0.002383 0.002323 -0.000346 0.000288 0.001883 0.001537 0.015726 0.007319 0.064208 -0.012079 -0.003683 0.098063 -0.021342 -0.002275 0.097038 -0.006728 0.022347 0.053608 -0.027740 -0.033024 -0.066733 0.058805 -0.008383 -0.073421 0.044569 0.030143 -0.093333 -0.044984 -0.040209 -0.073066 0.001588 0.001977 -0.000005 -0.002197 -0.000268 -0.000029 -0.003366 0.002131 0.002172 -0.000472 0.001751 0.001897 0.000894 -0.000712 0.003759 -0.001417 0.002523 0.003359 0.001186 -0.002213 0.002967 -0.001230 0.001891 -0.000967 -0.015167 0.003900 -0.003947 -0.000618 0.008162 0.005171 0.004925 -0.004588 0.006457 0.004151 -0.004537 0.003734 -0.001761 0.003560 -0.000257 -0.026752 -0.005825 0.075243 0.000214 0.016236 0.089055 0.002398 -0.023242 0.046242 0.005512 -0.001079 0.109859 0.038759 -0.034527 -0.092789 -0.017048 0.046581 -0.065352 -0.018839 -0.048249 -0.069336 0.049128 0.032395 -0.057370 0.000113 -0.000647 0.001773 -0.003351 0.000154 0.002679 0.000919 0.002454 -0.000871 -0.000448 -0.001327 -0.000379 -0.000068 -0.002278 0.000058 -0.000961 0.003442 0.000881 0.002181 0.003473 0.003769 0.002220 0.002402 -0.001158 -0.013873 -0.026488 0.073756 0.008408 0.013407 0.086065 -0.005539 0.003495 0.071643 -0.010724 0.001708 0.090992 0.011199 -0.016485 -0.096036 0.009598 -0.002748 -0.113550 0.001457 -0.048482 -0.091350 0.003765 0.059010 -0.056586 0.004113 0.001929 0.001086 0.000957 -0.001969 -0.001874 -0.000050 -0.000455 -0.002035 0.000202 0.000565 -0.000136 -0.000077 0.001460 -0.001291 -0.001383 -0.000097 -0.001761 0.000822 0.003713 -0.000734 0.000123 0.000893 -0.000452 -0.007611 -0.002089 0.079904 -0.026625 -0.008651 0.072551 0.012746 -0.014972 0.091984 -0.006742 -0.017738 0.079004 -0.016373 0.018698 -0.086587 -0.006766 0.036470 -0.085280 0.011319 0.011806 -0.059769 0.000725 0.002596 -0.123964 0.000163 0.002555 0.000874 -0.000035 0.001385 0.001253 0.001067 0.001752 0.000442 0.001415 -0.000289 0.000134 0.000816 0.001174 -0.000577 0.003271 0.000034 -0.002094 -0.002246 0.002468 -0.000366 0.000344 0.002087 0.001457 0.015749 0.007314 0.064195 -0.012053 -0.003669 0.098065 -0.021316 -0.002264 0.097048 -0.006703 0.022362 0.053610 -0.027748 -0.032929 -0.066707 0.058886 -0.008389 -0.073527 0.044541 0.030112 -0.093164 -0.044917 -0.040196 -0.073001 0.001782 0.002039 0.000305 -0.002490 -0.000215 0.000190 -0.003305 0.002223 0.001975 -0.000338 0.001849 0.001938 0.001065 -0.000754 0.003853 -0.001588 0.002729 0.003685 0.001303 -0.002481 0.003530 -0.001401 0.001989 -0.001215 -0.013628 0.002155 -0.005376 -0.000503 0.008235 0.005211 0.003084 -0.003739 0.009420 0.004392 -0.004043 0.003962 -0.003254 0.000968 -0.003006 -0.026757 -0.005803 0.075630 0.000075 0.016262 0.089503 0.002337 -0.023157 0.046594 0.005472 -0.001090 0.110134 0.038715 -0.034519 -0.092212 -0.017417 0.046893 -0.064344 -0.018990 -0.047475 -0.069098 0.049155 0.032626 -0.057695 0.001035 -0.001552 -0.001156 0.000247 -0.000552 -0.000357 0.000411 0.000498 0.003384 -0.001469 -0.000722 0.000689 0.001739 0.002028 0.001451 0.002054 0.001708 0.001995 -0.000577 -0.000170 -0.004173 0.003049 0.000763 0.002122 -0.013927 -0.026476 0.074230 0.008353 0.013405 0.086430 -0.005650 0.003468 0.071897 -0.010788 0.001743 0.091434 0.010724 -0.016562 -0.096128 0.009193 -0.001996 -0.112941 0.001923 -0.048036 -0.091416 0.003162 0.059283 -0.055427 0.001849 0.002112 -0.000568 -0.001546 0.000303 -0.001223 0.000530 0.000608 -0.001397 -0.001144 0.001504 0.003010 0.000055 0.001454 -0.000911 0.001404 0.001718 0.000641 0.003132 0.000232 0.000579 -0.002143 -0.001489 0.002503 -0.007653 -0.002006 0.080316 -0.026645 -0.008640 0.072934 0.012624 -0.014935 0.092334 -0.006797 -0.017709 0.079317 -0.016509 0.018979 -0.086143 -0.006794 0.036534 -0.085410 0.011679 0.011677 -0.059259 0.001242 0.003502 -0.122882 -0.001562 0.001346 0.003678 -0.000710 0.000948 0.001990 0.002527 -0.000068 -0.001408 -0.000263 0.001396 0.001628 0.000517 0.000016 0.000591 -0.000914 0.003042 0.000036 -0.000384 0.001583 0.002440 -0.000040 -0.000619 0.002623 0.015691 0.007295 0.064538 -0.012105 -0.003731 0.098444 -0.021344 -0.002279 0.097499 -0.006784 0.022378 0.053975 -0.028313 -0.032003 -0.064967 0.059066 -0.008538 -0.073326 0.043858 0.029854 -0.091695 -0.044624 -0.039925 -0.072156 0.001825 0.001244 0.002729 -0.001017 0.001463 0.003160 0.001794 0.002033 -0.000074 -0.001229 0.000294 0.001112 -0.001043 -0.000914 0.002180 -0.000996 0.003183 0.002375 0.000242 0.000601 0.002595 -0.000911 0.002594 -0.000894 -0.007337 -0.005208 -0.009013 -0.001575 0.002817 -0.004465 -0.004063 0.011716 -0.005948 0.004373 -0.002598 0.001497 -0.000035 -0.002336 -0.003529 -0.026782 -0.005763 0.075621 0.000105 0.016309 0.089473 0.002342 -0.023150 0.046599 0.005471 -0.001039 0.110148 0.038719 -0.034542 -0.092186 -0.017443 0.046915 -0.064368 -0.018990 -0.047549 -0.069007 0.049135 0.032576 -0.057586 0.000828 -0.000882 -0.000709 -0.000199 0.000034 -0.000031 0.000422 0.000719 0.002879 -0.001392 -0.000740 0.000635 0.001497 0.001378 0.001284 0.001113 0.002095 0.001689 -0.000134 0.000269 -0.003061 0.002666 0.001421 0.001849 -0.013926 -0.026427 0.074191 0.008354 0.013449 0.086428 -0.005630 0.003532 0.071939 -0.010793 0.001774 0.091404 0.010748 -0.016510 -0.096012 0.009243 -0.002007 -0.112874 0.001906 -0.048029 -0.091345 0.003207 0.059235 -0.055410 0.002171 0.002064 -0.000177 -0.001295 -0.000058 -0.001173 0.000364 0.000517 -0.001419 -0.000973 0.001411 0.002672 0.000077 0.001380 -0.000984 0.001164 0.001422 0.000418 0.002382 0.001196 0.000203 -0.001510 -0.000496 0.001672 -0.007684 -0.001983 0.080308 -0.026678 -0.008584 0.072927 0.012662 -0.014898 0.092316 -0.006800 -0.017669 0.079340 -0.016549 0.018990 -0.086069 -0.006811 0.036540 -0.085325 0.011636 0.011686 -0.059231 0.001220 0.003450 -0.122928 -0.001369 0.002127 0.003343 -0.000441 0.001186 0.001526 0.002590 0.000617 -0.000794 -0.000060 0.001115 0.001463 0.000595 0.000065 0.000315 -0.000266 0.002625 -0.000095 -0.000722 0.001764 0.002080 -0.000026 -0.000245 0.002482 0.015689 0.007357 0.064539 -0.012114 -0.003651 0.098429 -0.021362 -0.002232 0.097464 -0.006778 0.022418 0.053962 -0.028232 -0.032063 -0.065031 0.059047 -0.008532 -0.073241 0.043912 0.029871 -0.091743 -0.044671 -0.039935 -0.072127 0.001769 0.001423 0.002452 -0.001243 0.001259 0.002806 0.000684 0.002437 0.000166 -0.001220 0.000494 0.001315 -0.000325 -0.000863 0.002910 -0.001246 0.003317 0.002572 0.000360 0.000177 0.002629 -0.000995 0.002701 -0.000855 -0.006253 -0.006957 -0.009770 -0.001498 0.002194 -0.004270 -0.000166 0.007117 -0.003310 0.003546 -0.002685 0.001248 -0.003046 -0.001136 -0.004564 -0.026975 -0.005981 0.075445 -0.000096 0.016087 0.089396 0.002173 -0.023355 0.046439 0.005302 -0.001332 0.109915 0.038132 -0.034683 -0.091959 -0.017799 0.046547 -0.064542 -0.019280 -0.047583 -0.068542 0.049366 0.032802 -0.057679 0.000127 0.000541 -0.001158 0.001136 -0.000356 0.000182 -0.001388 0.000558 0.001126 0.000345 0.000249 0.000008 0.001591 0.001722 -0.000211 0.001471 -0.000930 0.001818 -0.001562 -0.000982 -0.007707 0.000479 0.001782 -0.001004 -0.014159 -0.026661 0.073922 0.008175 0.013171 0.086229 -0.005841 0.003296 0.071746 -0.010981 0.001527 0.091263 0.010908 -0.016668 -0.096290 0.009012 -0.002248 -0.113002 0.001576 -0.048017 -0.090606 0.003151 0.059552 -0.054879 -0.002200 0.001462 -0.000743 0.000530 0.000567 -0.000106 -0.000118 0.001619 0.000024 -0.000430 0.000208 0.000818 0.000767 0.002966 -0.002261 0.000066 0.000147 -0.000918 -0.000928 0.000307 -0.001435 0.000573 0.000391 0.000233 -0.007889 -0.002176 0.080182 -0.026887 -0.008839 0.072702 0.012454 -0.015123 0.092133 -0.007030 -0.017941 0.079227 -0.016356 0.018792 -0.086082 -0.006927 0.036441 -0.084840 0.011741 0.011733 -0.058458 0.000857 0.003523 -0.121557 -0.001063 0.000295 0.001820 -0.000560 0.000694 -0.000768 0.000390 -0.000073 -0.001414 0.000281 0.001523 0.001309 0.000094 0.000369 0.000309 -0.001488 0.002070 0.000028 0.002356 0.001434 0.001022 -0.000506 -0.000154 0.001234 0.015542 0.007135 0.064398 -0.012305 -0.003965 0.098264 -0.021573 -0.002438 0.097370 -0.007002 0.022166 0.053784 -0.028657 -0.032105 -0.064085 0.058510 -0.008612 -0.072077 0.043078 0.029874 -0.091607 -0.045053 -0.039735 -0.072172 0.000374 0.001429 0.001580 0.002655 0.001498 0.002050 0.001753 0.000500 0.000042 -0.001015 0.000234 -0.000188 -0.001994 -0.000314 -0.001763 0.001358 0.000588 -0.000973 -0.001183 0.004101 -0.000388 0.001927 0.001368 -0.000802 0.002433 0.005107 0.009158 -0.003697 0.004208 -0.003099 0.003305 -0.000146 0.006004 0.002842 0.001988 0.002842 -0.003893 -0.002151 -0.000705 -0.026978 -0.005984 0.075437 -0.000088 0.016087 0.089368 0.002161 -0.023362 0.046433 0.005288 -0.001312 0.109924 0.038129 -0.034685 -0.091961 -0.017828 0.046505 -0.064586 -0.019307 -0.047615 -0.068541 0.049364 0.032801 -0.057664 0.000124 0.000541 -0.001207 0.001056 -0.000362 0.000117 -0.001391 0.000662 0.001124 0.000295 0.000197 -0.000033 0.001540 0.001729 -0.000282 0.001480 -0.000767 0.001784 -0.001510 -0.000888 -0.007743 0.000518 0.001765 -0.000862 -0.014149 -0.026656 0.073942 0.008164 0.013177 0.086228 -0.005849 0.003292 0.071748 -0.010993 0.001535 0.091258 0.010965 -0.016649 -0.096299 0.009037 -0.002260 -0.113009 0.001541 -0.048032 -0.090604 0.003154 0.059524 -0.054909 -0.002174 0.001469 -0.000703 0.000541 0.000503 -0.000268 -0.000142 0.001638 -0.000107 -0.000477 0.000174 0.000781 0.000783 0.002987 -0.002177 0.000055 0.000194 -0.000790 -0.000699 0.000899 -0.001376 0.000575 0.000304 0.000317 -0.007896 -0.002176 0.080172 -0.026900 -0.008826 0.072706 0.012455 -0.015132 0.092131 -0.007024 -0.017935 0.079191 -0.016360 0.018753 -0.086087 -0.006940 0.036425 -0.084867 0.011729 0.011711 -0.058433 0.000862 0.003503 -0.121525 -0.001049 0.000294 0.001753 -0.000570 0.000677 -0.000775 0.000435 -0.000049 -0.001486 0.000330 0.001490 0.001244 0.000091 0.000455 0.000448 -0.001361 0.002226 0.000148 0.002288 0.001331 0.000977 -0.000480 -0.000194 0.001537 0.015520 0.007136 0.064375 -0.012313 -0.003940 0.098244 -0.021563 -0.002440 0.097348 -0.006987 0.022167 0.053777 -0.028630 -0.032126 -0.064094 0.058509 -0.008622 -0.072057 0.043055 0.029849 -0.091635 -0.045078 -0.039721 -0.072166 0.000427 0.001432 0.001504 0.002608 0.001437 0.001959 0.001733 0.000518 -0.000017 -0.001061 0.000242 -0.000268 -0.001854 -0.000305 -0.001643 0.001131 0.000594 -0.000835 -0.001241 0.003890 -0.000348 0.001877 0.001435 -0.000821 0.002474 0.005141 0.009367 -0.003583 0.003964 -0.002960 0.003214 -0.000561 0.005941 0.002435 0.002278 0.002352 -0.003463 -0.002336 -0.000495 -0.026670 -0.005957 0.075741 0.000210 0.016126 0.089694 0.002500 -0.023337 0.046737 0.005621 -0.001315 0.110157 0.038006 -0.034512 -0.091233 -0.017666 0.046534 -0.064351 -0.019182 -0.047574 -0.067957 0.050129 0.033334 -0.057430 0.000104 0.001558 -0.000148 0.001523 0.000092 0.000633 -0.002537 -0.001046 -0.002096 0.002183 0.001009 -0.000786 0.000144 0.001448 -0.000094 0.000708 -0.000618 0.001247 0.001192 0.003784 0.000065 -0.000270 0.000996 -0.000559 -0.013898 -0.026612 0.074172 0.008497 0.013196 0.086507 -0.005531 0.003296 0.072021 -0.010682 0.001574 0.091564 0.011522 -0.016499 -0.096168 0.009444 -0.002312 -0.112824 0.001735 -0.047740 -0.089533 0.003691 0.060000 -0.054270 -0.002038 0.000343 -0.001499 0.001007 0.001130 0.000738 -0.000065 0.002266 -0.000117 0.001043 -0.000074 -0.000959 -0.000344 0.000619 0.000645 -0.000484 0.000077 -0.000664 -0.002335 0.001994 -0.002440 0.002261 0.001568 -0.000254 -0.007620 -0.002129 0.080486 -0.026611 -0.008777 0.072963 0.012758 -0.015100 0.092352 -0.006718 -0.017921 0.079541 -0.015447 0.018968 -0.085896 -0.006503 0.036710 -0.083645 0.012168 0.012144 -0.057622 0.000966 0.003638 -0.120490 0.000167 -0.000127 -0.000801 0.000375 0.000995 -0.001685 -0.000641 0.000204 0.000669 0.000941 0.001916 0.000636 0.000649 0.002924 0.002262 0.000371 0.000194 0.001140 0.001259 -0.000824 0.001410 0.000303 -0.000187 0.001780 0.015854 0.007173 0.064712 -0.012034 -0.003944 0.098542 -0.021248 -0.002395 0.097632 -0.006690 0.022164 0.054069 -0.028451 -0.032095 -0.063377 0.058356 -0.008328 -0.070827 0.042965 0.030185 -0.091468 -0.044953 -0.039288 -0.072308 0.000139 0.000718 -0.000789 0.002129 0.000694 0.000927 0.000243 -0.001679 0.000729 0.000375 0.001338 -0.000622 -0.000861 0.001356 -0.001610 0.003383 -0.000513 -0.000595 -0.000800 0.002012 -0.001228 0.002356 0.000602 0.000179 -0.002233 0.001700 0.001535 -0.002385 0.006961 -0.003909 -0.006982 -0.001000 -0.008877 -0.000436 -0.000721 0.003924 -0.004964 -0.000919 0.003721 -0.026625 -0.005899 0.075665 0.000254 0.016197 0.089618 0.002556 -0.023276 0.046661 0.005673 -0.001260 0.110053 0.037811 -0.034375 -0.090856 -0.017737 0.046551 -0.064260 -0.019262 -0.047598 -0.067720 0.050405 0.033641 -0.057326 -0.000214 0.001842 0.000532 0.001559 0.000539 0.000716 -0.002835 -0.001367 -0.003658 0.002896 0.001385 -0.001246 -0.000307 0.001130 -0.000213 0.000802 -0.001008 0.000832 0.002250 0.004813 0.002370 -0.000807 0.000871 -0.000430 -0.013862 -0.026541 0.074068 0.008546 0.013259 0.086424 -0.005484 0.003355 0.071934 -0.010634 0.001636 0.091491 0.011707 -0.016372 -0.096112 0.009571 -0.002311 -0.112746 0.001692 -0.047593 -0.089019 0.003866 0.060245 -0.054015 -0.002073 0.000336 -0.001919 0.000978 0.000807 0.001144 -0.000153 0.002579 -0.000257 0.001823 -0.000052 -0.002305 -0.000898 -0.000464 0.001632 -0.001422 0.000129 -0.000434 -0.003039 0.002729 -0.003141 0.002916 0.002060 -0.000792 -0.007583 -0.002058 0.080419 -0.026575 -0.008708 0.072875 0.012801 -0.015036 0.092252 -0.006676 -0.017856 0.079478 -0.015103 0.019075 -0.085836 -0.006392 0.036888 -0.083044 0.012268 0.012418 -0.057229 0.000869 0.003703 -0.119952 0.001046 0.000040 -0.002370 0.000673 0.001086 -0.002175 -0.000942 0.000618 0.001267 0.001127 0.002104 0.000175 0.000846 0.004261 0.003179 0.000965 0.000247 0.001614 0.000864 -0.001396 0.001566 0.000841 -0.000274 0.001819 0.015904 0.007243 0.064649 -0.011999 -0.003887 0.098457 -0.021208 -0.002325 0.097561 -0.006646 0.022216 0.053995 -0.028468 -0.032075 -0.063085 0.058125 -0.008170 -0.070232 0.042796 0.030364 -0.091412 -0.045024 -0.039048 -0.072404 -0.000252 0.000231 -0.002247 0.001201 0.000836 0.000010 -0.000238 -0.002503 0.001022 0.000923 0.001885 -0.000909 -0.000460 0.002146 -0.002503 0.003985 -0.000744 -0.000556 -0.000480 0.001373 -0.001626 0.002420 0.000457 0.000315 -0.000189 0.003681 0.001446 -0.004930 0.006999 0.001418 -0.009290 -0.005504 -0.015010 0.000762 -0.000846 0.003887 -0.005914 -0.003425 0.006493 -0.026721 -0.005879 0.075760 0.000170 0.016217 0.089710 0.002478 -0.023248 0.046760 0.005589 -0.001251 0.110121 0.037558 -0.034281 -0.090503 -0.017894 0.046647 -0.064181 -0.019390 -0.047562 -0.067548 0.050472 0.033890 -0.057197 -0.000329 0.002534 0.000741 0.001360 0.001171 0.000854 -0.002584 -0.001364 -0.004235 0.002749 0.001652 -0.001152 -0.000686 0.001073 0.000026 -0.000101 -0.001036 0.000641 0.003133 0.005840 0.003900 -0.001779 0.001049 -0.000700 -0.013968 -0.026517 0.074136 0.008469 0.013278 0.086527 -0.005585 0.003374 0.072006 -0.010727 0.001661 0.091601 0.011712 -0.016309 -0.096054 0.009547 -0.002243 -0.112601 0.001618 -0.047449 -0.088661 0.003865 0.060377 -0.053685 -0.001850 -0.000231 -0.001749 0.000212 0.000826 0.001204 -0.000297 0.002419 -0.000418 0.002294 -0.000506 -0.002651 -0.001467 -0.002019 0.003114 -0.001715 0.000746 -0.000086 -0.002649 0.002904 -0.002263 0.002656 0.002323 -0.000674 -0.007687 -0.002020 0.080526 -0.026676 -0.008688 0.072953 0.012700 -0.015008 0.092306 -0.006782 -0.017838 0.079591 -0.014889 0.019288 -0.085705 -0.006352 0.037076 -0.082464 0.012125 0.012604 -0.057031 0.000637 0.003772 -0.119588 0.001466 0.000205 -0.002889 0.001174 0.001101 -0.002039 -0.000995 0.001017 0.001854 -0.000062 0.001716 -0.000328 0.000892 0.003764 0.002337 0.001328 0.000390 0.001859 0.001037 -0.001223 0.000517 0.000995 0.000234 0.002308 0.015811 0.007262 0.064769 -0.012105 -0.003862 0.098547 -0.021290 -0.002292 0.097657 -0.006752 0.022230 0.054074 -0.028623 -0.032037 -0.062718 0.057847 -0.008043 -0.069836 0.042528 0.030565 -0.091387 -0.045151 -0.038790 -0.072574 -0.000571 -0.000090 -0.002727 0.000104 -0.000238 -0.000140 -0.000373 -0.002840 0.000192 0.001905 0.001622 -0.000523 0.000144 0.002669 -0.001887 0.003547 -0.000472 0.000056 -0.000072 -0.000501 -0.000538 0.001918 0.000166 0.000253 0.001490 0.004473 0.000104 -0.005766 0.002601 -0.004561 -0.009935 -0.005139 -0.014303 0.001741 -0.002236 0.001784 -0.001448 0.000482 0.006810 -0.026619 -0.006108 0.075830 0.000293 0.015995 0.089759 0.002618 -0.023464 0.046831 0.005715 -0.001500 0.110127 0.037362 -0.034385 -0.089872 -0.017906 0.046572 -0.064087 -0.019333 -0.047766 -0.067310 0.050898 0.034099 -0.057042 -0.000006 0.002961 0.001105 0.001794 0.001847 0.000672 -0.001769 -0.001685 -0.005406 0.002811 0.001977 -0.001137 -0.001459 -0.000354 -0.000117 -0.000760 -0.000069 -0.000546 0.003975 0.006135 0.008654 -0.004814 0.000210 -0.000974 -0.013885 -0.026732 0.074160 0.008604 0.013046 0.086601 -0.005479 0.003142 0.072026 -0.010613 0.001438 0.091683 0.011982 -0.016468 -0.096002 0.009799 -0.002375 -0.112373 0.001784 -0.047418 -0.088071 0.004137 0.060351 -0.053112 -0.000884 -0.000587 -0.002098 -0.000612 0.001266 0.001342 0.000245 0.001602 -0.000618 0.002954 -0.000591 -0.003429 -0.002014 -0.004347 0.005084 -0.001847 0.000634 0.001047 -0.002781 0.002713 -0.000819 0.002544 0.002574 -0.000691 -0.007588 -0.002219 0.080614 -0.026568 -0.008916 0.072980 0.012807 -0.015227 0.092298 -0.006691 -0.018069 0.079667 -0.014175 0.019440 -0.085543 -0.005990 0.037148 -0.081511 0.012128 0.012685 -0.056789 0.000485 0.003645 -0.118988 0.002548 0.000218 -0.004050 0.000980 0.000881 -0.001234 -0.001191 0.000783 0.003478 -0.000362 0.000517 -0.000474 0.001283 0.001746 -0.000493 0.002785 0.000193 0.001836 0.001234 -0.001584 -0.000938 0.001590 0.000743 0.002967 0.015936 0.007030 0.064874 -0.012016 -0.004092 0.098597 -0.021167 -0.002505 0.097718 -0.006653 0.021988 0.054112 -0.028639 -0.032228 -0.062113 0.057591 -0.008076 -0.069192 0.042318 0.030689 -0.091416 -0.045092 -0.038559 -0.073010 -0.001994 -0.002543 -0.003432 -0.000109 -0.001675 -0.000969 -0.000696 -0.002911 -0.000333 0.002905 0.002208 -0.000336 0.001539 0.003534 -0.000877 0.003031 -0.000124 0.001121 0.001115 -0.003603 0.000829 0.000579 -0.000391 0.000416 0.003355 0.002646 -0.008438 -0.009111 0.005470 -0.000998 -0.006531 0.004033 -0.005414 -0.005519 0.001421 -0.006462 -0.000856 0.002993 0.000290 -0.026871 -0.005916 0.075803 0.000066 0.016174 0.089707 0.002384 -0.023271 0.046799 0.005490 -0.001328 0.110104 0.037186 -0.034175 -0.089763 -0.018171 0.046900 -0.064152 -0.019478 -0.047490 -0.067326 0.050603 0.034329 -0.056952 -0.000061 0.002800 0.000825 0.001330 0.002141 0.000402 0.000399 -0.000778 -0.003258 0.001392 0.002023 -0.000540 -0.000253 0.000048 -0.000728 -0.000995 0.000785 -0.000973 0.002363 0.003522 0.005179 -0.004533 0.000301 -0.001422 -0.014125 -0.026548 0.074124 0.008375 0.013226 0.086596 -0.005735 0.003326 0.071958 -0.010858 0.001626 0.091658 0.011772 -0.016271 -0.096048 0.009639 -0.002012 -0.112193 0.001698 -0.047218 -0.088189 0.003893 0.060504 -0.052905 -0.000590 -0.000705 -0.001492 -0.001180 0.001918 0.001197 0.000224 0.000906 -0.000129 0.002004 -0.000208 -0.002143 -0.001230 -0.002228 0.002879 -0.001595 0.001415 0.000787 -0.002428 0.002215 -0.001530 0.000677 0.001757 -0.000850 -0.007836 -0.002022 0.080603 -0.026832 -0.008747 0.072954 0.012571 -0.015034 0.092266 -0.006943 -0.017908 0.079648 -0.014328 0.019860 -0.085382 -0.006087 0.037455 -0.081265 0.011682 0.012942 -0.056999 0.000129 0.003929 -0.119023 0.002134 0.000034 -0.003255 0.000895 0.001215 -0.000390 -0.001240 0.001002 0.003036 -0.000771 0.000580 -0.000396 0.000433 -0.000156 -0.001960 0.001889 0.000360 0.001156 0.001113 -0.000333 -0.001510 0.001156 0.002289 0.001116 0.015701 0.007221 0.064859 -0.012269 -0.003898 0.098571 -0.021394 -0.002312 0.097691 -0.006898 0.022179 0.054065 -0.028848 -0.032014 -0.061776 0.057381 -0.007843 -0.069270 0.042000 0.031012 -0.091504 -0.045289 -0.038146 -0.073181 -0.002172 -0.002303 -0.002703 -0.000490 -0.001589 -0.000888 -0.000574 -0.002160 -0.000676 0.002407 0.001955 -0.000163 0.001240 0.003041 -0.000980 0.001050 0.000105 0.000430 0.001534 -0.003482 0.000679 -0.000321 0.000115 0.000212 -0.001331 0.001796 -0.004570 0.006114 0.001328 -0.006883 0.003933 0.001263 0.003671 -0.009059 0.000699 -0.007270 -0.002072 -0.000204 0.001664 -0.026854 -0.005918 0.075741 0.000077 0.016174 0.089632 0.002399 -0.023277 0.046731 0.005515 -0.001323 0.110046 0.037234 -0.034196 -0.089808 -0.018133 0.046946 -0.064280 -0.019383 -0.047427 -0.067459 0.050610 0.034308 -0.057028 0.000064 0.002668 0.000617 0.001309 0.002241 0.000233 0.000907 -0.000544 -0.002698 0.000949 0.002009 -0.000397 0.000402 -0.000100 -0.001263 -0.000909 0.001111 -0.001209 0.001738 0.002375 0.003833 -0.004033 0.000003 -0.001197 -0.014102 -0.026542 0.074065 0.008394 0.013226 0.086526 -0.005700 0.003323 0.071892 -0.010831 0.001617 0.091596 0.011809 -0.016304 -0.096163 0.009701 -0.001944 -0.112196 0.001815 -0.047208 -0.088363 0.003879 0.060452 -0.052911 -0.000367 -0.000803 -0.001387 -0.001304 0.002140 0.001083 0.000102 0.000535 0.000471 0.001863 -0.000050 -0.001926 -0.000245 -0.001724 0.001327 -0.001425 0.001710 0.000788 -0.002122 0.001910 -0.001934 0.000297 0.001617 -0.000929 -0.007810 -0.002022 0.080542 -0.026800 -0.008740 0.072905 0.012597 -0.015031 0.092201 -0.006927 -0.017894 0.079588 -0.014272 0.019990 -0.085443 -0.005995 0.037493 -0.081293 0.011593 0.012950 -0.057242 0.000073 0.003993 -0.119170 0.002071 -0.000043 -0.003048 0.000960 0.001316 -0.000190 -0.001144 0.001038 0.002903 -0.001252 0.000348 -0.000187 0.000365 -0.000602 -0.002471 0.001626 0.000353 0.000978 0.001084 0.000024 -0.001771 0.001037 0.002490 0.000163 0.015726 0.007209 0.064819 -0.012253 -0.003911 0.098503 -0.021392 -0.002323 0.097628 -0.006870 0.022174 0.053979 -0.028841 -0.032046 -0.061723 0.057395 -0.007859 -0.069458 0.041977 0.031052 -0.091676 -0.045214 -0.038058 -0.073373 -0.002137 -0.002301 -0.002577 -0.000522 -0.001600 -0.000933 -0.000419 -0.001988 -0.000893 0.002323 0.001840 -0.000209 0.001419 0.002380 -0.000737 0.000646 0.000222 0.000345 0.001866 -0.003245 0.000559 -0.000483 0.000269 0.000212 -0.001702 0.002131 -0.003546 0.005654 0.001775 -0.007051 0.003585 0.001064 0.009189 -0.008960 0.000756 -0.006734 -0.002658 -0.000207 0.001776 -0.026845 -0.005903 0.075764 0.000101 0.016183 0.089643 0.002425 -0.023261 0.046761 0.005542 -0.001323 0.110070 0.037312 -0.034185 -0.089728 -0.018107 0.047072 -0.064326 -0.019248 -0.047316 -0.067455 0.050573 0.034319 -0.056959 0.000204 0.002534 0.000419 0.001105 0.001894 -0.000157 0.001732 -0.000067 -0.001440 0.000193 0.002042 -0.000004 0.001185 -0.000052 -0.001855 -0.001026 0.001069 -0.001559 0.000968 0.001019 0.002035 -0.003580 0.000061 -0.001374 -0.014088 -0.026528 0.074083 0.008419 0.013235 0.086562 -0.005690 0.003333 0.071892 -0.010811 0.001630 0.091613 0.011819 -0.016300 -0.096183 0.009756 -0.001792 -0.112031 0.001964 -0.047173 -0.088457 0.003884 0.060431 -0.052729 -0.000022 -0.000814 -0.001005 -0.001526 0.002587 0.001026 0.000273 0.000111 0.000778 0.001260 -0.000082 -0.001676 0.000481 -0.000223 0.000018 -0.001103 0.002238 0.000684 -0.001631 0.001528 -0.002281 -0.000295 0.001440 -0.000920 -0.007794 -0.002004 0.080573 -0.026787 -0.008738 0.072926 0.012617 -0.015015 0.092223 -0.006917 -0.017893 0.079611 -0.014210 0.020183 -0.085298 -0.005872 0.037578 -0.081149 0.011441 0.012987 -0.057427 0.000016 0.004102 -0.119219 0.001991 -0.000152 -0.002453 0.001110 0.001625 0.000368 -0.000933 0.001172 0.002682 -0.001322 0.000400 -0.000049 0.000318 -0.001470 -0.003337 0.001194 0.000451 0.000490 0.001153 0.000839 -0.002025 0.001377 0.003295 -0.000470 0.015749 0.007221 0.064843 -0.012239 -0.003897 0.098532 -0.021367 -0.002306 0.097644 -0.006859 0.022187 0.053996 -0.028795 -0.032010 -0.061443 0.057452 -0.007821 -0.069533 0.041940 0.031173 -0.091739 -0.045144 -0.037884 -0.073483 -0.002097 -0.002192 -0.002086 -0.000538 -0.001506 -0.000703 -0.000117 -0.001539 -0.001034 0.002157 0.001716 -0.000022 0.001433 0.002066 -0.000798 -0.000376 0.000463 -0.000337 0.002847 -0.003160 0.000154 -0.000988 0.000085 0.000377 -0.002606 0.003376 -0.002301 0.003591 -0.004651 -0.005532 0.002413 0.001837 0.009305 -0.008652 0.001036 -0.005873 -0.000409 0.000741 0.001377 -0.026915 -0.005942 0.075880 0.000015 0.016103 0.089748 0.002318 -0.023319 0.046869 0.005478 -0.001371 0.110211 0.037421 -0.034194 -0.089931 -0.018113 0.047140 -0.064505 -0.019199 -0.047166 -0.067458 0.050251 0.034160 -0.056986 0.000543 0.001557 0.000330 0.000994 0.001258 -0.000638 0.001776 0.000455 -0.000137 -0.000274 0.001626 0.000076 0.000742 0.000536 -0.001500 -0.000175 0.000659 -0.001592 -0.000548 -0.000871 0.000391 -0.001160 -0.000163 -0.000285 -0.014160 -0.026572 0.074214 0.008336 0.013166 0.086690 -0.005780 0.003269 0.071980 -0.010891 0.001583 0.091726 0.011702 -0.016299 -0.096344 0.009707 -0.001675 -0.112001 0.002037 -0.047254 -0.088845 0.003777 0.060309 -0.052771 -0.000100 -0.000517 -0.000465 -0.000471 0.002189 0.000067 0.000583 -0.000206 0.000982 0.000839 0.000461 -0.001006 0.000564 0.001195 -0.001057 -0.000528 0.001503 -0.000238 -0.001058 0.001139 -0.002476 -0.000157 0.001363 -0.001289 -0.007864 -0.002069 0.080703 -0.026877 -0.008793 0.073067 0.012549 -0.015076 0.092368 -0.006990 -0.017967 0.079722 -0.014411 0.020329 -0.085238 -0.005871 0.037566 -0.081308 0.011233 0.013017 -0.057642 -0.000104 0.004160 -0.119520 0.000833 -0.000540 -0.001001 0.001312 0.001496 0.000560 -0.001057 0.001057 0.001739 -0.000908 0.000271 -0.000064 -0.000578 -0.000870 -0.001368 0.000187 0.000534 0.000042 -0.000002 0.000893 -0.000712 0.001459 0.003434 -0.001797 0.015683 0.007164 0.064961 -0.012332 -0.003957 0.098658 -0.021444 -0.002373 0.097762 -0.006912 0.022138 0.054102 -0.028720 -0.032069 -0.061312 0.057624 -0.007835 -0.069879 0.041911 0.031194 -0.091850 -0.045152 -0.037853 -0.073485 -0.001908 -0.001371 -0.001160 -0.000475 -0.000939 -0.000644 0.000189 -0.000953 -0.000911 0.001503 0.000875 -0.000173 0.000641 0.000928 -0.001184 -0.000991 0.000124 -0.001098 0.001748 -0.000914 -0.000373 -0.000837 0.000229 0.000480 -0.003987 0.004926 -0.000559 0.003189 -0.001158 -0.001260 0.001308 -0.001109 0.002454 -0.005952 0.003023 -0.003794 0.004452 -0.001637 0.000069</matrix>
               </module>
            </module>
            <module dictRef="cc:userDefinedModule" id="positions">
               <molecule id="calculation.position.2">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">10.364410710831562</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">10.364412581405663</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.16843459"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.16843372"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.4184342"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.4184343"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.24343294"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.24343304"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.49343352"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.49343362"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.05759"
                           xFract="0.06963523"
                           y3="0.58699"
                           yFract="0.06543749"
                           z3="5.35584"
                           zFract="0.24849364"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="3.64386"
                           xFract="0.31943923"
                           y3="0.59053"
                           yFract="0.06583213"
                           z3="5.51044"
                           zFract="0.24831434"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="2.34478"
                           xFract="0.06815183"
                           y3="2.85435"
                           yFract="0.31820219"
                           z3="5.53074"
                           zFract="0.24923916"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.93253"
                           xFract="0.31830713"
                           y3="2.85414"
                           yFract="0.31817878"
                           z3="5.68927"
                           zFract="0.24924715"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.21827"
                           xFract="0.14420172"
                           y3="1.26463"
                           yFract="0.14098062"
                           z3="7.49007"
                           zFract="0.34464082"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="4.80973"
                           xFract="0.39472009"
                           y3="1.26434"
                           yFract="0.14094829"
                           z3="7.64857"
                           zFract="0.34463682"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="3.50262"
                           xFract="0.14395035"
                           y3="3.50486"
                           yFract="0.39072087"
                           z3="7.74724"
                           zFract="0.34931884"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.08852"
                           xFract="0.39354477"
                           y3="3.51153"
                           yFract="0.39146444"
                           z3="7.90724"
                           zFract="0.34938999"/>
                     <atom elementType="Cu"
                           id="a17"
                           x3="5.1870"
                           xFract="0.16843382"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a18"
                           x3="6.47529"
                           xFract="0.16843391"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a19"
                           x3="7.77327"
                           xFract="0.4184344"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a20"
                           x3="9.06156"
                           xFract="0.41843449"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="6.34936"
                           xFract="0.24343314"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="7.63765"
                           xFract="0.24343323"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="8.93563"
                           xFract="0.49343372"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="10.22391"
                           xFract="0.49343285"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="3.63417"
                           xFract="0.06963543"
                           y3="5.07211"
                           yFract="0.56543749"
                           z3="5.6724"
                           zFract="0.24849391"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.22044"
                           xFract="0.31943943"
                           y3="5.07565"
                           yFract="0.56583213"
                           z3="5.82699"
                           zFract="0.24831414"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.92136"
                           xFract="0.06815202"
                           y3="7.33947"
                           yFract="0.81820219"
                           z3="5.84729"
                           zFract="0.24923896"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.50911"
                           xFract="0.31830733"
                           y3="7.33926"
                           yFract="0.81817878"
                           z3="6.00582"
                           zFract="0.24924695"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.79485"
                           xFract="0.14420191"
                           y3="5.74975"
                           yFract="0.64098062"
                           z3="7.80662"
                           zFract="0.34464062"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="7.3863"
                           xFract="0.39471932"
                           y3="5.74946"
                           yFract="0.64094829"
                           z3="7.96512"
                           zFract="0.34463666"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.0792"
                           xFract="0.14395054"
                           y3="7.98998"
                           yFract="0.89072087"
                           z3="8.0638"
                           zFract="0.34931912"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.6651"
                           xFract="0.39354496"
                           y3="7.99665"
                           yFract="0.89146444"
                           z3="8.2238"
                           zFract="0.34939026"/>
                     <atom elementType="Cu"
                           id="a33"
                           x3="7.78295"
                           xFract="0.66843382"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a34"
                           x3="9.07124"
                           xFract="0.66843391"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a35"
                           x3="10.36922"
                           xFract="0.9184344"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a36"
                           x3="11.65751"
                           xFract="0.91843449"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a37"
                           x3="8.94531"
                           xFract="0.74343314"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a38"
                           x3="10.2336"
                           xFract="0.74343323"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a39"
                           x3="11.53158"
                           xFract="0.99343372"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a40"
                           x3="12.81986"
                           xFract="0.99343285"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a41"
                           x3="6.23012"
                           xFract="0.56963543"
                           y3="0.58699"
                           yFract="0.06543749"
                           z3="5.6724"
                           zFract="0.24849391"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="8.81639"
                           xFract="0.81943943"
                           y3="0.59053"
                           yFract="0.06583213"
                           z3="5.82699"
                           zFract="0.24831414"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="7.51731"
                           xFract="0.56815202"
                           y3="2.85435"
                           yFract="0.31820219"
                           z3="5.84729"
                           zFract="0.24923896"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.10506"
                           xFract="0.81830733"
                           y3="2.85414"
                           yFract="0.31817878"
                           z3="6.00582"
                           zFract="0.24924695"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.3908"
                           xFract="0.64420191"
                           y3="1.26463"
                           yFract="0.14098062"
                           z3="7.80662"
                           zFract="0.34464062"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="9.98225"
                           xFract="0.89471932"
                           y3="1.26434"
                           yFract="0.14094829"
                           z3="7.96512"
                           zFract="0.34463666"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="8.67515"
                           xFract="0.64395054"
                           y3="3.50486"
                           yFract="0.39072087"
                           z3="8.0638"
                           zFract="0.34931912"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.26105"
                           xFract="0.89354496"
                           y3="3.51153"
                           yFract="0.39146444"
                           z3="8.2238"
                           zFract="0.34939026"/>
                     <atom elementType="Cu"
                           id="a49"
                           x3="10.35953"
                           xFract="0.66843401"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.90692"
                           zFract="0.05000395"/>
                     <atom elementType="Cu"
                           id="a50"
                           x3="11.64782"
                           xFract="0.66843411"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.0652"
                           zFract="0.05000409"/>
                     <atom elementType="Cu"
                           id="a51"
                           x3="12.9458"
                           xFract="0.91843459"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="2.0652"
                           zFract="0.05000408"/>
                     <atom elementType="Cu"
                           id="a52"
                           x3="14.23408"
                           xFract="0.91843372"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.22348"
                           zFract="0.05000424"/>
                     <atom elementType="Cu"
                           id="a53"
                           x3="11.52189"
                           xFract="0.74343333"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.1228"
                           zFract="0.15000418"/>
                     <atom elementType="Cu"
                           id="a54"
                           x3="12.81018"
                           xFract="0.74343343"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.28107"
                           zFract="0.15000385"/>
                     <atom elementType="Cu"
                           id="a55"
                           x3="14.10815"
                           xFract="0.99343294"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.28107"
                           zFract="0.15000386"/>
                     <atom elementType="Cu"
                           id="a56"
                           x3="15.39644"
                           xFract="0.99343304"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.43935"
                           zFract="0.150004"/>
                     <atom elementType="Cu"
                           id="a57"
                           x3="8.8067"
                           xFract="0.56963562"
                           y3="5.07211"
                           yFract="0.56543749"
                           z3="5.98895"
                           zFract="0.24849372"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="11.39297"
                           xFract="0.81943962"
                           y3="5.07565"
                           yFract="0.56583213"
                           z3="6.14355"
                           zFract="0.24831442"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="10.09389"
                           xFract="0.56815222"
                           y3="7.33947"
                           yFract="0.81820219"
                           z3="6.16385"
                           zFract="0.24923924"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.68164"
                           xFract="0.81830752"
                           y3="7.33926"
                           yFract="0.81817878"
                           z3="6.32238"
                           zFract="0.24924723"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.96738"
                           xFract="0.64420211"
                           y3="5.74975"
                           yFract="0.64098062"
                           z3="8.12318"
                           zFract="0.3446409"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="12.55883"
                           xFract="0.89471951"
                           y3="5.74946"
                           yFract="0.64094829"
                           z3="8.28168"
                           zFract="0.34463693"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="11.25173"
                           xFract="0.64395073"
                           y3="7.98998"
                           yFract="0.89072087"
                           z3="8.38035"
                           zFract="0.34931892"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.83762"
                           xFract="0.89354419"
                           y3="7.99665"
                           yFract="0.89146444"
                           z3="8.54035"
                           zFract="0.3493901"/>
                     <atom elementType="Br"
                           id="a65"
                           x3="3.33136"
                           xFract="0.14484734"
                           y3="3.19059"
                           yFract="0.35568614"
                           z3="10.37741"
                           zFract="0.47434931"/>
                     <atom elementType="Br"
                           id="a66"
                           x3="5.90794"
                           xFract="0.14484753"
                           y3="7.67571"
                           yFract="0.85568614"
                           z3="10.69397"
                           zFract="0.47434959"/>
                     <atom elementType="Br"
                           id="a67"
                           x3="8.50389"
                           xFract="0.64484753"
                           y3="3.19059"
                           yFract="0.35568614"
                           z3="10.69397"
                           zFract="0.47434959"/>
                     <atom elementType="Br"
                           id="a68"
                           x3="11.09137"
                           xFract="0.88052532"
                           y3="3.45062"
                           yFract="0.38467421"
                           z3="10.87057"
                           zFract="0.47477573"/>
                     <atom elementType="Br"
                           id="a69"
                           x3="11.08047"
                           xFract="0.64484773"
                           y3="7.67571"
                           yFract="0.85568614"
                           z3="11.01052"
                           zFract="0.4743494"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a3 a33" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a4 a19" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a17" order="S"/>
                     <bond atomRefs2="a4 a33" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a34" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a26" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a7 a41" order="S"/>
                     <bond atomRefs2="a7 a33" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a37" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a21" order="S"/>
                     <bond atomRefs2="a8 a26" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a34" order="S"/>
                     <bond atomRefs2="a8 a38" order="S"/>
                     <bond atomRefs2="a8 a37" order="S"/>
                     <bond atomRefs2="a8 a23" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a25" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a26" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a15 a29" order="S"/>
                     <bond atomRefs2="a16 a43" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a30" order="S"/>
                     <bond atomRefs2="a16 a26" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a47" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a23" order="S"/>
                     <bond atomRefs2="a19 a34" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a26" order="S"/>
                     <bond atomRefs2="a21 a27" order="S"/>
                     <bond atomRefs2="a21 a23" order="S"/>
                     <bond atomRefs2="a22 a28" order="S"/>
                     <bond atomRefs2="a22 a24" order="S"/>
                     <bond atomRefs2="a22 a23" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a24" order="S"/>
                     <bond atomRefs2="a23 a59" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a57" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a30 a47" order="S"/>
                     <bond atomRefs2="a30 a61" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a66" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a61" order="S"/>
                     <bond atomRefs2="a33 a35" order="S"/>
                     <bond atomRefs2="a33 a34" order="S"/>
                     <bond atomRefs2="a33 a37" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a35" order="S"/>
                     <bond atomRefs2="a34 a38" order="S"/>
                     <bond atomRefs2="a34 a37" order="S"/>
                     <bond atomRefs2="a34 a36" order="S"/>
                     <bond atomRefs2="a35 a36" order="S"/>
                     <bond atomRefs2="a35 a39" order="S"/>
                     <bond atomRefs2="a35 a37" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a40" order="S"/>
                     <bond atomRefs2="a36 a39" order="S"/>
                     <bond atomRefs2="a36 a38" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a40" order="S"/>
                     <bond atomRefs2="a38 a39" order="S"/>
                     <bond atomRefs2="a38 a44" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a43 a57" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a58" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a67" order="S"/>
                     <bond atomRefs2="a47 a57" order="S"/>
                     <bond atomRefs2="a47 a61" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a48 a68" order="S"/>
                     <bond atomRefs2="a48 a58" order="S"/>
                     <bond atomRefs2="a48 a62" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                     <bond atomRefs2="a63 a69" order="S"/>
                     <bond atomRefs2="a67 a68" order="S"/>
                  </bondArray>
                  <formula concise="Br5Cu64">
                     <atomArray count="5 64" elementType="Br Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4466.463999999996</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.3">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">10.364410710831562</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">10.364412581405663</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.16843459"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.16843372"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.4184342"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.4184343"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.24343294"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.24343304"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.49343352"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.49343362"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.05757"
                           xFract="0.06963275"
                           y3="0.5870"
                           yFract="0.06543861"
                           z3="5.35574"
                           zFract="0.24848896"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="3.64381"
                           xFract="0.3194183"
                           y3="0.59082"
                           yFract="0.06586446"
                           z3="5.51085"
                           zFract="0.24833333"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="2.34472"
                           xFract="0.06815325"
                           y3="2.85422"
                           yFract="0.3181877"
                           z3="5.53122"
                           zFract="0.24926218"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.93225"
                           xFract="0.31829895"
                           y3="2.8538"
                           yFract="0.31814087"
                           z3="5.68922"
                           zFract="0.24924617"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.21851"
                           xFract="0.14425935"
                           y3="1.26401"
                           yFract="0.1409115"
                           z3="7.49116"
                           zFract="0.34469255"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="4.80962"
                           xFract="0.39470668"
                           y3="1.26439"
                           yFract="0.14095387"
                           z3="7.65026"
                           zFract="0.34471674"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="3.50399"
                           xFract="0.14409721"
                           y3="3.5046"
                           yFract="0.39069189"
                           z3="7.74984"
                           zFract="0.34943791"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.08868"
                           xFract="0.39356134"
                           y3="3.51151"
                           yFract="0.39146221"
                           z3="7.90515"
                           zFract="0.34929102"/>
                     <atom elementType="Cu"
                           id="a17"
                           x3="5.1870"
                           xFract="0.16843382"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a18"
                           x3="6.47529"
                           xFract="0.16843391"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a19"
                           x3="7.77327"
                           xFract="0.4184344"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a20"
                           x3="9.06156"
                           xFract="0.41843449"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="6.34936"
                           xFract="0.24343314"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="7.63765"
                           xFract="0.24343323"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="8.93563"
                           xFract="0.49343372"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="10.22391"
                           xFract="0.49343285"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="3.63399"
                           xFract="0.06960359"
                           y3="5.07237"
                           yFract="0.56546648"
                           z3="5.67273"
                           zFract="0.24850956"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.2204"
                           xFract="0.31940446"
                           y3="5.07621"
                           yFract="0.56589456"
                           z3="5.82718"
                           zFract="0.24832228"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.92163"
                           xFract="0.06818534"
                           y3="7.33934"
                           yFract="0.8181877"
                           z3="5.84736"
                           zFract="0.2492417"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.50871"
                           xFract="0.31827588"
                           y3="7.33913"
                           yFract="0.81816429"
                           z3="6.00587"
                           zFract="0.24925068"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.79511"
                           xFract="0.1442165"
                           y3="5.74994"
                           yFract="0.6410018"
                           z3="7.80882"
                           zFract="0.34474328"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="7.38577"
                           xFract="0.39465698"
                           y3="5.74966"
                           yFract="0.64097059"
                           z3="7.96724"
                           zFract="0.34473781"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.07873"
                           xFract="0.14393676"
                           y3="7.98941"
                           yFract="0.89065733"
                           z3="8.07168"
                           zFract="0.34969296"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.66517"
                           xFract="0.39355506"
                           y3="7.99659"
                           yFract="0.89145775"
                           z3="8.22331"
                           zFract="0.34936706"/>
                     <atom elementType="Cu"
                           id="a33"
                           x3="7.78295"
                           xFract="0.66843382"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a34"
                           x3="9.07124"
                           xFract="0.66843391"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a35"
                           x3="10.36922"
                           xFract="0.9184344"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a36"
                           x3="11.65751"
                           xFract="0.91843449"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a37"
                           x3="8.94531"
                           xFract="0.74343314"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a38"
                           x3="10.2336"
                           xFract="0.74343323"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a39"
                           x3="11.53158"
                           xFract="0.99343372"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a40"
                           x3="12.81986"
                           xFract="0.99343285"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a41"
                           x3="6.2301"
                           xFract="0.56963461"
                           y3="0.58697"
                           yFract="0.06543526"
                           z3="5.67225"
                           zFract="0.24848693"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="8.81633"
                           xFract="0.81941697"
                           y3="0.59083"
                           yFract="0.06586557"
                           z3="5.82741"
                           zFract="0.24833362"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="7.51748"
                           xFract="0.56818678"
                           y3="2.85402"
                           yFract="0.3181654"
                           z3="5.84725"
                           zFract="0.24923714"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.10493"
                           xFract="0.81830198"
                           y3="2.85401"
                           yFract="0.31816429"
                           z3="6.00631"
                           zFract="0.24927065"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.39069"
                           xFract="0.64418906"
                           y3="1.26467"
                           yFract="0.14098508"
                           z3="7.80833"
                           zFract="0.3447215"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="9.98188"
                           xFract="0.89471687"
                           y3="1.26374"
                           yFract="0.1408814"
                           z3="7.96618"
                           zFract="0.3446887"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="8.6735"
                           xFract="0.64380548"
                           y3="3.5046"
                           yFract="0.39069189"
                           z3="8.0662"
                           zFract="0.34943747"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.26109"
                           xFract="0.89355216"
                           y3="3.51147"
                           yFract="0.39145775"
                           z3="8.22337"
                           zFract="0.34936998"/>
                     <atom elementType="Cu"
                           id="a49"
                           x3="10.35953"
                           xFract="0.66843401"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.90692"
                           zFract="0.05000395"/>
                     <atom elementType="Cu"
                           id="a50"
                           x3="11.64782"
                           xFract="0.66843411"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.0652"
                           zFract="0.05000409"/>
                     <atom elementType="Cu"
                           id="a51"
                           x3="12.9458"
                           xFract="0.91843459"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="2.0652"
                           zFract="0.05000408"/>
                     <atom elementType="Cu"
                           id="a52"
                           x3="14.23408"
                           xFract="0.91843372"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.22348"
                           zFract="0.05000424"/>
                     <atom elementType="Cu"
                           id="a53"
                           x3="11.52189"
                           xFract="0.74343333"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.1228"
                           zFract="0.15000418"/>
                     <atom elementType="Cu"
                           id="a54"
                           x3="12.81018"
                           xFract="0.74343343"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.28107"
                           zFract="0.15000385"/>
                     <atom elementType="Cu"
                           id="a55"
                           x3="14.10815"
                           xFract="0.99343294"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.28107"
                           zFract="0.15000386"/>
                     <atom elementType="Cu"
                           id="a56"
                           x3="15.39644"
                           xFract="0.99343304"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.43935"
                           zFract="0.150004"/>
                     <atom elementType="Cu"
                           id="a57"
                           x3="8.80679"
                           xFract="0.56963044"
                           y3="5.07236"
                           yFract="0.56546536"
                           z3="5.98931"
                           zFract="0.24851001"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="11.39291"
                           xFract="0.81942105"
                           y3="5.07588"
                           yFract="0.56585777"
                           z3="6.14391"
                           zFract="0.24833118"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="10.09417"
                           xFract="0.5681865"
                           y3="7.33934"
                           yFract="0.8181877"
                           z3="6.16394"
                           zFract="0.24924289"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.68123"
                           xFract="0.81827511"
                           y3="7.33913"
                           yFract="0.81816429"
                           z3="6.32245"
                           zFract="0.24925193"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.96726"
                           xFract="0.64413942"
                           y3="5.75067"
                           yFract="0.64108318"
                           z3="8.12465"
                           zFract="0.34470902"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="12.55876"
                           xFract="0.8946611"
                           y3="5.75039"
                           yFract="0.64105197"
                           z3="8.28312"
                           zFract="0.34470348"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="11.25127"
                           xFract="0.64393959"
                           y3="7.98938"
                           yFract="0.89065398"
                           z3="8.38818"
                           zFract="0.34969043"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.83771"
                           xFract="0.89355622"
                           y3="7.99659"
                           yFract="0.89145775"
                           z3="8.53986"
                           zFract="0.34936684"/>
                     <atom elementType="Br"
                           id="a65"
                           x3="3.33407"
                           xFract="0.14501934"
                           y3="3.19221"
                           yFract="0.35586673"
                           z3="10.37423"
                           zFract="0.47418885"/>
                     <atom elementType="Br"
                           id="a66"
                           x3="5.90872"
                           xFract="0.14488795"
                           y3="7.67634"
                           yFract="0.85575637"
                           z3="10.68226"
                           zFract="0.47379417"/>
                     <atom elementType="Br"
                           id="a67"
                           x3="8.50186"
                           xFract="0.64456079"
                           y3="3.19222"
                           yFract="0.35586785"
                           z3="10.69043"
                           zFract="0.47418582"/>
                     <atom elementType="Br"
                           id="a68"
                           x3="11.09138"
                           xFract="0.8807001"
                           y3="3.44749"
                           yFract="0.38432528"
                           z3="10.8713"
                           zFract="0.47481534"/>
                     <atom elementType="Br"
                           id="a69"
                           x3="11.08125"
                           xFract="0.64487315"
                           y3="7.67661"
                           yFract="0.85578647"
                           z3="10.99887"
                           zFract="0.47379635"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a3 a33" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a4 a19" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a17" order="S"/>
                     <bond atomRefs2="a4 a33" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a34" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a26" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a7 a41" order="S"/>
                     <bond atomRefs2="a7 a33" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a37" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a21" order="S"/>
                     <bond atomRefs2="a8 a26" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a34" order="S"/>
                     <bond atomRefs2="a8 a38" order="S"/>
                     <bond atomRefs2="a8 a37" order="S"/>
                     <bond atomRefs2="a8 a23" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a25" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a26" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a15 a29" order="S"/>
                     <bond atomRefs2="a16 a43" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a30" order="S"/>
                     <bond atomRefs2="a16 a26" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a47" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a23" order="S"/>
                     <bond atomRefs2="a19 a34" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a26" order="S"/>
                     <bond atomRefs2="a21 a27" order="S"/>
                     <bond atomRefs2="a21 a23" order="S"/>
                     <bond atomRefs2="a22 a28" order="S"/>
                     <bond atomRefs2="a22 a24" order="S"/>
                     <bond atomRefs2="a22 a23" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a24" order="S"/>
                     <bond atomRefs2="a23 a59" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a57" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a30 a47" order="S"/>
                     <bond atomRefs2="a30 a61" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a66" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a61" order="S"/>
                     <bond atomRefs2="a33 a35" order="S"/>
                     <bond atomRefs2="a33 a34" order="S"/>
                     <bond atomRefs2="a33 a37" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a35" order="S"/>
                     <bond atomRefs2="a34 a38" order="S"/>
                     <bond atomRefs2="a34 a37" order="S"/>
                     <bond atomRefs2="a34 a36" order="S"/>
                     <bond atomRefs2="a35 a36" order="S"/>
                     <bond atomRefs2="a35 a39" order="S"/>
                     <bond atomRefs2="a35 a37" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a40" order="S"/>
                     <bond atomRefs2="a36 a39" order="S"/>
                     <bond atomRefs2="a36 a38" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a40" order="S"/>
                     <bond atomRefs2="a38 a39" order="S"/>
                     <bond atomRefs2="a38 a44" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a43 a57" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a58" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a67" order="S"/>
                     <bond atomRefs2="a47 a57" order="S"/>
                     <bond atomRefs2="a47 a61" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a48 a68" order="S"/>
                     <bond atomRefs2="a48 a58" order="S"/>
                     <bond atomRefs2="a48 a62" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                     <bond atomRefs2="a63 a69" order="S"/>
                     <bond atomRefs2="a67 a68" order="S"/>
                  </bondArray>
                  <formula concise="Br5Cu64">
                     <atomArray count="5 64" elementType="Br Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4466.463999999996</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.4">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">10.364410710831562</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">10.364412581405663</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.16843459"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.16843372"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.4184342"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.4184343"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.24343294"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.24343304"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.49343352"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.49343362"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.0575"
                           xFract="0.06962431"
                           y3="0.58703"
                           yFract="0.06544195"
                           z3="5.35543"
                           zFract="0.2484745"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="3.64366"
                           xFract="0.31935493"
                           y3="0.5917"
                           yFract="0.06596256"
                           z3="5.51209"
                           zFract="0.24839076"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="2.34453"
                           xFract="0.06815654"
                           y3="2.85383"
                           yFract="0.31814422"
                           z3="5.53267"
                           zFract="0.24933174"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.93141"
                           xFract="0.31827495"
                           y3="2.85277"
                           yFract="0.31802605"
                           z3="5.68909"
                           zFract="0.24924418"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.21924"
                           xFract="0.14443154"
                           y3="1.26218"
                           yFract="0.1407075"
                           z3="7.49444"
                           zFract="0.34484815"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="4.80932"
                           xFract="0.39466935"
                           y3="1.26454"
                           yFract="0.14097059"
                           z3="7.65536"
                           zFract="0.34495782"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="3.50809"
                           xFract="0.14453574"
                           y3="3.50384"
                           yFract="0.39060716"
                           z3="7.75762"
                           zFract="0.34979417"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.08917"
                           xFract="0.39361149"
                           y3="3.51146"
                           yFract="0.39145664"
                           z3="7.89888"
                           zFract="0.34899406"/>
                     <atom elementType="Cu"
                           id="a17"
                           x3="5.1870"
                           xFract="0.16843382"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a18"
                           x3="6.47529"
                           xFract="0.16843391"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a19"
                           x3="7.77327"
                           xFract="0.4184344"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a20"
                           x3="9.06156"
                           xFract="0.41843449"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="6.34936"
                           xFract="0.24343314"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="7.63765"
                           xFract="0.24343323"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="8.93563"
                           xFract="0.49343372"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="10.22391"
                           xFract="0.49343285"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="3.63343"
                           xFract="0.06950725"
                           y3="5.07313"
                           yFract="0.5655512"
                           z3="5.67374"
                           zFract="0.24855752"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.22027"
                           xFract="0.3192986"
                           y3="5.07789"
                           yFract="0.56608184"
                           z3="5.82775"
                           zFract="0.24834673"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.92243"
                           xFract="0.06828488"
                           y3="7.33894"
                           yFract="0.8181431"
                           z3="5.84756"
                           zFract="0.24924949"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.50752"
                           xFract="0.31818306"
                           y3="7.33873"
                           yFract="0.81811969"
                           z3="6.00602"
                           zFract="0.24926186"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.79591"
                           xFract="0.14426051"
                           y3="5.75054"
                           yFract="0.64106869"
                           z3="7.81542"
                           zFract="0.34505116"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="7.38415"
                           xFract="0.39446651"
                           y3="5.75027"
                           yFract="0.64103859"
                           z3="7.97358"
                           zFract="0.34504039"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.07733"
                           xFract="0.14389472"
                           y3="7.98773"
                           yFract="0.89047004"
                           z3="8.09533"
                           zFract="0.3508149"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.66539"
                           xFract="0.39358521"
                           y3="7.99643"
                           yFract="0.89143992"
                           z3="8.22184"
                           zFract="0.34929738"/>
                     <atom elementType="Cu"
                           id="a33"
                           x3="7.78295"
                           xFract="0.66843382"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a34"
                           x3="9.07124"
                           xFract="0.66843391"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a35"
                           x3="10.36922"
                           xFract="0.9184344"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a36"
                           x3="11.65751"
                           xFract="0.91843449"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a37"
                           x3="8.94531"
                           xFract="0.74343314"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a38"
                           x3="10.2336"
                           xFract="0.74343323"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a39"
                           x3="11.53158"
                           xFract="0.99343372"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a40"
                           x3="12.81986"
                           xFract="0.99343285"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a41"
                           x3="6.23004"
                           xFract="0.56963325"
                           y3="0.58689"
                           yFract="0.06542634"
                           z3="5.6718"
                           zFract="0.24846602"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="8.81616"
                           xFract="0.81935111"
                           y3="0.59172"
                           yFract="0.06596479"
                           z3="5.82867"
                           zFract="0.24839203"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="7.51799"
                           xFract="0.56829272"
                           y3="2.8530"
                           yFract="0.31805169"
                           z3="5.84713"
                           zFract="0.24923171"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.10454"
                           xFract="0.81828705"
                           y3="2.8536"
                           yFract="0.31811858"
                           z3="6.00777"
                           zFract="0.2493413"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.39036"
                           xFract="0.6441505"
                           y3="1.26479"
                           yFract="0.14099846"
                           z3="7.81345"
                           zFract="0.34496366"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="9.98075"
                           xFract="0.89470871"
                           y3="1.26192"
                           yFract="0.14067851"
                           z3="7.96934"
                           zFract="0.344844"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="8.66853"
                           xFract="0.64336726"
                           y3="3.50384"
                           yFract="0.39060716"
                           z3="8.07342"
                           zFract="0.3497935"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.26121"
                           xFract="0.8935732"
                           y3="3.5113"
                           yFract="0.3914388"
                           z3="8.22209"
                           zFract="0.34930956"/>
                     <atom elementType="Cu"
                           id="a49"
                           x3="10.35953"
                           xFract="0.66843401"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.90692"
                           zFract="0.05000395"/>
                     <atom elementType="Cu"
                           id="a50"
                           x3="11.64782"
                           xFract="0.66843411"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.0652"
                           zFract="0.05000409"/>
                     <atom elementType="Cu"
                           id="a51"
                           x3="12.9458"
                           xFract="0.91843459"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="2.0652"
                           zFract="0.05000408"/>
                     <atom elementType="Cu"
                           id="a52"
                           x3="14.23408"
                           xFract="0.91843372"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.22348"
                           zFract="0.05000424"/>
                     <atom elementType="Cu"
                           id="a53"
                           x3="11.52189"
                           xFract="0.74343333"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.1228"
                           zFract="0.15000418"/>
                     <atom elementType="Cu"
                           id="a54"
                           x3="12.81018"
                           xFract="0.74343343"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.28107"
                           zFract="0.15000385"/>
                     <atom elementType="Cu"
                           id="a55"
                           x3="14.10815"
                           xFract="0.99343294"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.28107"
                           zFract="0.15000386"/>
                     <atom elementType="Cu"
                           id="a56"
                           x3="15.39644"
                           xFract="0.99343304"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.43935"
                           zFract="0.150004"/>
                     <atom elementType="Cu"
                           id="a57"
                           x3="8.80705"
                           xFract="0.56961392"
                           y3="5.07311"
                           yFract="0.56554897"
                           z3="5.99039"
                           zFract="0.24855893"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="11.39276"
                           xFract="0.81936712"
                           y3="5.07659"
                           yFract="0.56593692"
                           z3="6.14502"
                           zFract="0.24838277"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="10.09499"
                           xFract="0.56828742"
                           y3="7.33895"
                           yFract="0.81814422"
                           z3="6.16423"
                           zFract="0.24925485"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.68001"
                           xFract="0.81817939"
                           y3="7.33873"
                           yFract="0.81811969"
                           z3="6.32268"
                           zFract="0.24926696"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.96692"
                           xFract="0.64395162"
                           y3="5.75346"
                           yFract="0.64139421"
                           z3="8.12908"
                           zFract="0.34491421"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="12.55855"
                           xFract="0.89448587"
                           y3="5.75318"
                           yFract="0.641363"
                           z3="8.28745"
                           zFract="0.34490358"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="11.24987"
                           xFract="0.6439031"
                           y3="7.9876"
                           yFract="0.89045555"
                           z3="8.41166"
                           zFract="0.35080452"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.83798"
                           xFract="0.8935912"
                           y3="7.99643"
                           yFract="0.89143992"
                           z3="8.5384"
                           zFract="0.34929749"/>
                     <atom elementType="Br"
                           id="a65"
                           x3="3.34221"
                           xFract="0.1455352"
                           y3="3.19709"
                           yFract="0.35641075"
                           z3="10.36468"
                           zFract="0.47370694"/>
                     <atom elementType="Br"
                           id="a66"
                           x3="5.91108"
                           xFract="0.14501057"
                           y3="7.67824"
                           yFract="0.85596818"
                           z3="10.64715"
                           zFract="0.47212876"/>
                     <atom elementType="Br"
                           id="a67"
                           x3="8.49577"
                           xFract="0.6437"
                           y3="3.19712"
                           yFract="0.3564141"
                           z3="10.67983"
                           zFract="0.47369542"/>
                     <atom elementType="Br"
                           id="a68"
                           x3="11.09142"
                           xFract="0.88122596"
                           y3="3.43809"
                           yFract="0.38327737"
                           z3="10.87349"
                           zFract="0.47493419"/>
                     <atom elementType="Br"
                           id="a69"
                           x3="11.08359"
                           xFract="0.64494774"
                           y3="7.67934"
                           yFract="0.85609081"
                           z3="10.96392"
                           zFract="0.47213716"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a3 a33" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a4 a19" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a17" order="S"/>
                     <bond atomRefs2="a4 a33" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a34" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a26" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a7 a41" order="S"/>
                     <bond atomRefs2="a7 a33" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a37" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a21" order="S"/>
                     <bond atomRefs2="a8 a26" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a34" order="S"/>
                     <bond atomRefs2="a8 a38" order="S"/>
                     <bond atomRefs2="a8 a37" order="S"/>
                     <bond atomRefs2="a8 a23" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a25" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a26" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a15 a29" order="S"/>
                     <bond atomRefs2="a16 a43" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a30" order="S"/>
                     <bond atomRefs2="a16 a26" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a47" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a23" order="S"/>
                     <bond atomRefs2="a19 a34" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a26" order="S"/>
                     <bond atomRefs2="a21 a27" order="S"/>
                     <bond atomRefs2="a21 a23" order="S"/>
                     <bond atomRefs2="a22 a28" order="S"/>
                     <bond atomRefs2="a22 a24" order="S"/>
                     <bond atomRefs2="a22 a23" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a24" order="S"/>
                     <bond atomRefs2="a23 a59" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a57" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a30 a47" order="S"/>
                     <bond atomRefs2="a30 a61" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a66" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a61" order="S"/>
                     <bond atomRefs2="a33 a35" order="S"/>
                     <bond atomRefs2="a33 a34" order="S"/>
                     <bond atomRefs2="a33 a37" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a35" order="S"/>
                     <bond atomRefs2="a34 a38" order="S"/>
                     <bond atomRefs2="a34 a37" order="S"/>
                     <bond atomRefs2="a34 a36" order="S"/>
                     <bond atomRefs2="a35 a36" order="S"/>
                     <bond atomRefs2="a35 a39" order="S"/>
                     <bond atomRefs2="a35 a37" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a40" order="S"/>
                     <bond atomRefs2="a36 a39" order="S"/>
                     <bond atomRefs2="a36 a38" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a40" order="S"/>
                     <bond atomRefs2="a38 a39" order="S"/>
                     <bond atomRefs2="a38 a44" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a43 a57" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a58" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a67" order="S"/>
                     <bond atomRefs2="a47 a57" order="S"/>
                     <bond atomRefs2="a47 a61" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a48 a68" order="S"/>
                     <bond atomRefs2="a48 a58" order="S"/>
                     <bond atomRefs2="a48 a62" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                     <bond atomRefs2="a63 a69" order="S"/>
                     <bond atomRefs2="a67 a68" order="S"/>
                  </bondArray>
                  <formula concise="Br5Cu64">
                     <atomArray count="5 64" elementType="Br Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4466.463999999996</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.5">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">10.364410710831562</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">10.364412581405663</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.16843459"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.16843372"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.4184342"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.4184343"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.24343294"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.24343304"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.49343352"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.49343362"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.05736"
                           xFract="0.069608"
                           y3="0.58708"
                           yFract="0.06544752"
                           z3="5.35481"
                           zFract="0.24844558"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="3.64337"
                           xFract="0.31922972"
                           y3="0.59345"
                           yFract="0.06615765"
                           z3="5.51458"
                           zFract="0.24850607"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="2.34416"
                           xFract="0.06816464"
                           y3="2.85304"
                           yFract="0.31805615"
                           z3="5.53556"
                           zFract="0.24947039"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.92973"
                           xFract="0.31822694"
                           y3="2.85071"
                           yFract="0.3177964"
                           z3="5.68881"
                           zFract="0.24923927"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.22068"
                           xFract="0.14477509"
                           y3="1.2585"
                           yFract="0.14029725"
                           z3="7.50101"
                           zFract="0.34515992"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="4.80871"
                           xFract="0.39459373"
                           y3="1.26484"
                           yFract="0.14100403"
                           z3="7.66554"
                           zFract="0.34543906"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="3.51628"
                           xFract="0.14541183"
                           y3="3.50232"
                           yFract="0.39043771"
                           z3="7.77319"
                           zFract="0.3505072"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.09016"
                           xFract="0.39371329"
                           y3="3.51135"
                           yFract="0.39144438"
                           z3="7.88633"
                           zFract="0.34839966"/>
                     <atom elementType="Cu"
                           id="a17"
                           x3="5.1870"
                           xFract="0.16843382"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a18"
                           x3="6.47529"
                           xFract="0.16843391"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a19"
                           x3="7.77327"
                           xFract="0.4184344"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a20"
                           x3="9.06156"
                           xFract="0.41843449"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="6.34936"
                           xFract="0.24343314"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="7.63765"
                           xFract="0.24343323"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="8.93563"
                           xFract="0.49343372"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="10.22391"
                           xFract="0.49343285"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="3.63231"
                           xFract="0.06931458"
                           y3="5.07465"
                           yFract="0.56572065"
                           z3="5.67576"
                           zFract="0.24865346"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.22002"
                           xFract="0.31908841"
                           y3="5.08124"
                           yFract="0.5664553"
                           z3="5.82889"
                           zFract="0.2483956"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.92403"
                           xFract="0.06848453"
                           y3="7.33813"
                           yFract="0.81805281"
                           z3="5.84796"
                           zFract="0.24926509"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.50513"
                           xFract="0.31799701"
                           y3="7.33792"
                           yFract="0.81802939"
                           z3="6.00633"
                           zFract="0.24928472"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.79751"
                           xFract="0.14434964"
                           y3="5.75172"
                           yFract="0.64120024"
                           z3="7.82861"
                           zFract="0.34566648"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="7.38093"
                           xFract="0.39408806"
                           y3="5.75148"
                           yFract="0.64117348"
                           z3="7.98628"
                           zFract="0.34564646"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.07453"
                           xFract="0.14381176"
                           y3="7.98435"
                           yFract="0.89009324"
                           z3="8.14264"
                           zFract="0.35305927"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.66584"
                           xFract="0.39364648"
                           y3="7.99611"
                           yFract="0.89140424"
                           z3="8.2189"
                           zFract="0.349158"/>
                     <atom elementType="Cu"
                           id="a33"
                           x3="7.78295"
                           xFract="0.66843382"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a34"
                           x3="9.07124"
                           xFract="0.66843391"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a35"
                           x3="10.36922"
                           xFract="0.9184344"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a36"
                           x3="11.65751"
                           xFract="0.91843449"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a37"
                           x3="8.94531"
                           xFract="0.74343314"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a38"
                           x3="10.2336"
                           xFract="0.74343323"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a39"
                           x3="11.53158"
                           xFract="0.99343372"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a40"
                           x3="12.81986"
                           xFract="0.99343285"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a41"
                           x3="6.22991"
                           xFract="0.56962846"
                           y3="0.58675"
                           yFract="0.06541074"
                           z3="5.6709"
                           zFract="0.2484242"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="8.81583"
                           xFract="0.81922092"
                           y3="0.59349"
                           yFract="0.06616211"
                           z3="5.83119"
                           zFract="0.24850884"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="7.51901"
                           xFract="0.5685046"
                           y3="2.85096"
                           yFract="0.31782427"
                           z3="5.8469"
                           zFract="0.24922133"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.10376"
                           xFract="0.81825607"
                           y3="2.8528"
                           yFract="0.31802939"
                           z3="6.01068"
                           zFract="0.24948209"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.3897"
                           xFract="0.64407337"
                           y3="1.26503"
                           yFract="0.14102521"
                           z3="7.8237"
                           zFract="0.34544844"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="9.97849"
                           xFract="0.89469238"
                           y3="1.25828"
                           yFract="0.14027272"
                           z3="7.97567"
                           zFract="0.34515505"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="8.65859"
                           xFract="0.64249138"
                           y3="3.50231"
                           yFract="0.3904366"
                           z3="8.08785"
                           zFract="0.35050511"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.26147"
                           xFract="0.89361721"
                           y3="3.51096"
                           yFract="0.3914009"
                           z3="8.21953"
                           zFract="0.34918868"/>
                     <atom elementType="Cu"
                           id="a49"
                           x3="10.35953"
                           xFract="0.66843401"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.90692"
                           zFract="0.05000395"/>
                     <atom elementType="Cu"
                           id="a50"
                           x3="11.64782"
                           xFract="0.66843411"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.0652"
                           zFract="0.05000409"/>
                     <atom elementType="Cu"
                           id="a51"
                           x3="12.9458"
                           xFract="0.91843459"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="2.0652"
                           zFract="0.05000408"/>
                     <atom elementType="Cu"
                           id="a52"
                           x3="14.23408"
                           xFract="0.91843372"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.22348"
                           zFract="0.05000424"/>
                     <atom elementType="Cu"
                           id="a53"
                           x3="11.52189"
                           xFract="0.74343333"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.1228"
                           zFract="0.15000418"/>
                     <atom elementType="Cu"
                           id="a54"
                           x3="12.81018"
                           xFract="0.74343343"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.28107"
                           zFract="0.15000385"/>
                     <atom elementType="Cu"
                           id="a55"
                           x3="14.10815"
                           xFract="0.99343294"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.28107"
                           zFract="0.15000386"/>
                     <atom elementType="Cu"
                           id="a56"
                           x3="15.39644"
                           xFract="0.99343304"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.43935"
                           zFract="0.150004"/>
                     <atom elementType="Cu"
                           id="a57"
                           x3="8.80759"
                           xFract="0.56958338"
                           y3="5.0746"
                           yFract="0.56571508"
                           z3="5.99255"
                           zFract="0.24865673"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="11.39245"
                           xFract="0.81925941"
                           y3="5.07799"
                           yFract="0.56609299"
                           z3="6.14722"
                           zFract="0.24848505"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="10.09664"
                           xFract="0.56849134"
                           y3="7.33815"
                           yFract="0.81805504"
                           z3="6.1648"
                           zFract="0.2492783"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.67755"
                           xFract="0.81798546"
                           y3="7.33794"
                           yFract="0.81803162"
                           z3="6.32314"
                           zFract="0.24929707"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.96623"
                           xFract="0.64357561"
                           y3="5.75903"
                           yFract="0.64201515"
                           z3="8.13795"
                           zFract="0.34532512"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="12.55813"
                           xFract="0.89413596"
                           y3="5.75875"
                           yFract="0.64198394"
                           z3="8.29611"
                           zFract="0.34530381"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="11.24709"
                           xFract="0.64383317"
                           y3="7.98402"
                           yFract="0.89005645"
                           z3="8.45863"
                           zFract="0.35303313"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.83853"
                           xFract="0.89366269"
                           y3="7.9961"
                           yFract="0.89140313"
                           z3="8.53547"
                           zFract="0.3491583"/>
                     <atom elementType="Br"
                           id="a65"
                           x3="3.3585"
                           xFract="0.14656844"
                           y3="3.20684"
                           yFract="0.35749768"
                           z3="10.34559"
                           zFract="0.47274356"/>
                     <atom elementType="Br"
                           id="a66"
                           x3="5.91579"
                           xFract="0.14525428"
                           y3="7.68205"
                           yFract="0.85639292"
                           z3="10.57692"
                           zFract="0.46879749"/>
                     <atom elementType="Br"
                           id="a67"
                           x3="8.48358"
                           xFract="0.64197745"
                           y3="3.20692"
                           yFract="0.3575066"
                           z3="10.65864"
                           zFract="0.47271513"/>
                     <atom elementType="Br"
                           id="a68"
                           x3="11.09148"
                           xFract="0.88227575"
                           y3="3.41929"
                           yFract="0.38118155"
                           z3="10.87786"
                           zFract="0.47517145"/>
                     <atom elementType="Br"
                           id="a69"
                           x3="11.08827"
                           xFract="0.64509749"
                           y3="7.68479"
                           yFract="0.85669837"
                           z3="10.89402"
                           zFract="0.4688188"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a3 a33" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a4 a19" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a17" order="S"/>
                     <bond atomRefs2="a4 a33" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a34" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a26" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a7 a41" order="S"/>
                     <bond atomRefs2="a7 a33" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a37" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a21" order="S"/>
                     <bond atomRefs2="a8 a26" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a34" order="S"/>
                     <bond atomRefs2="a8 a38" order="S"/>
                     <bond atomRefs2="a8 a37" order="S"/>
                     <bond atomRefs2="a8 a23" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a25" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a26" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a15 a29" order="S"/>
                     <bond atomRefs2="a16 a43" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a30" order="S"/>
                     <bond atomRefs2="a16 a26" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a47" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a23" order="S"/>
                     <bond atomRefs2="a19 a34" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a26" order="S"/>
                     <bond atomRefs2="a21 a27" order="S"/>
                     <bond atomRefs2="a21 a23" order="S"/>
                     <bond atomRefs2="a22 a28" order="S"/>
                     <bond atomRefs2="a22 a24" order="S"/>
                     <bond atomRefs2="a22 a23" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a24" order="S"/>
                     <bond atomRefs2="a23 a59" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a57" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a30 a47" order="S"/>
                     <bond atomRefs2="a30 a61" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a66" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a61" order="S"/>
                     <bond atomRefs2="a33 a35" order="S"/>
                     <bond atomRefs2="a33 a34" order="S"/>
                     <bond atomRefs2="a33 a37" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a35" order="S"/>
                     <bond atomRefs2="a34 a38" order="S"/>
                     <bond atomRefs2="a34 a37" order="S"/>
                     <bond atomRefs2="a34 a36" order="S"/>
                     <bond atomRefs2="a35 a36" order="S"/>
                     <bond atomRefs2="a35 a39" order="S"/>
                     <bond atomRefs2="a35 a37" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a40" order="S"/>
                     <bond atomRefs2="a36 a39" order="S"/>
                     <bond atomRefs2="a36 a38" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a40" order="S"/>
                     <bond atomRefs2="a38 a39" order="S"/>
                     <bond atomRefs2="a38 a44" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a43 a57" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a58" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a67" order="S"/>
                     <bond atomRefs2="a47 a57" order="S"/>
                     <bond atomRefs2="a47 a61" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a48 a68" order="S"/>
                     <bond atomRefs2="a48 a58" order="S"/>
                     <bond atomRefs2="a48 a62" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                     <bond atomRefs2="a63 a69" order="S"/>
                     <bond atomRefs2="a67 a68" order="S"/>
                  </bondArray>
                  <formula concise="Br5Cu64">
                     <atomArray count="5 64" elementType="Br Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4466.463999999996</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.6">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">10.364410710831562</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">10.364412581405663</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.16843459"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.16843372"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.4184342"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.4184343"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.24343294"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.24343304"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.49343352"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.49343362"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.05707"
                           xFract="0.06957442"
                           y3="0.58718"
                           yFract="0.06545867"
                           z3="5.35357"
                           zFract="0.24838779"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="3.64279"
                           xFract="0.31897874"
                           y3="0.59696"
                           yFract="0.06654894"
                           z3="5.51955"
                           zFract="0.24873622"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="2.34341"
                           xFract="0.06817933"
                           y3="2.85147"
                           yFract="0.31788113"
                           z3="5.54136"
                           zFract="0.24974865"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.92636"
                           xFract="0.31812942"
                           y3="2.8466"
                           yFract="0.31733822"
                           z3="5.68826"
                           zFract="0.24922992"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.22358"
                           xFract="0.14546301"
                           y3="1.25116"
                           yFract="0.13947899"
                           z3="7.51414"
                           zFract="0.34578288"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="4.80748"
                           xFract="0.39444151"
                           y3="1.26544"
                           yFract="0.14107092"
                           z3="7.6859"
                           zFract="0.34640157"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="3.53268"
                           xFract="0.14716595"
                           y3="3.49928"
                           yFract="0.39009882"
                           z3="7.80432"
                           zFract="0.35193272"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.09213"
                           xFract="0.39391538"
                           y3="3.51114"
                           yFract="0.39142097"
                           z3="7.86125"
                           zFract="0.34721181"/>
                     <atom elementType="Cu"
                           id="a17"
                           x3="5.1870"
                           xFract="0.16843382"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a18"
                           x3="6.47529"
                           xFract="0.16843391"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a19"
                           x3="7.77327"
                           xFract="0.4184344"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a20"
                           x3="9.06156"
                           xFract="0.41843449"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="6.34936"
                           xFract="0.24343314"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="7.63765"
                           xFract="0.24343323"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="8.93563"
                           xFract="0.49343372"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="10.22391"
                           xFract="0.49343285"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="3.63007"
                           xFract="0.06892868"
                           y3="5.0777"
                           yFract="0.56606066"
                           z3="5.6798"
                           zFract="0.24884531"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.21952"
                           xFract="0.31866691"
                           y3="5.08796"
                           yFract="0.56720444"
                           z3="5.83117"
                           zFract="0.24849332"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.92723"
                           xFract="0.0688827"
                           y3="7.33653"
                           yFract="0.81787444"
                           z3="5.84877"
                           zFract="0.24929671"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.50035"
                           xFract="0.31762381"
                           y3="7.33632"
                           yFract="0.81785103"
                           z3="6.00693"
                           zFract="0.24932948"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.80071"
                           xFract="0.14452736"
                           y3="5.75409"
                           yFract="0.64146444"
                           z3="7.8550"
                           zFract="0.34689756"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="7.37448"
                           xFract="0.39333074"
                           y3="5.75389"
                           yFract="0.64144215"
                           z3="8.01166"
                           zFract="0.34685771"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.06892"
                           xFract="0.14364486"
                           y3="7.97759"
                           yFract="0.88933964"
                           z3="8.23724"
                           zFract="0.3575471"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.66674"
                           xFract="0.39376902"
                           y3="7.99547"
                           yFract="0.8913329"
                           z3="8.21304"
                           zFract="0.34888017"/>
                     <atom elementType="Cu"
                           id="a33"
                           x3="7.78295"
                           xFract="0.66843382"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a34"
                           x3="9.07124"
                           xFract="0.66843391"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a35"
                           x3="10.36922"
                           xFract="0.9184344"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a36"
                           x3="11.65751"
                           xFract="0.91843449"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a37"
                           x3="8.94531"
                           xFract="0.74343314"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a38"
                           x3="10.2336"
                           xFract="0.74343323"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a39"
                           x3="11.53158"
                           xFract="0.99343372"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a40"
                           x3="12.81986"
                           xFract="0.99343285"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a41"
                           x3="6.22965"
                           xFract="0.56961998"
                           y3="0.58645"
                           yFract="0.06537729"
                           z3="5.6691"
                           zFract="0.24834058"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="8.81515"
                           xFract="0.8189575"
                           y3="0.59705"
                           yFract="0.06655898"
                           z3="5.83622"
                           zFract="0.24874202"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="7.52104"
                           xFract="0.56892629"
                           y3="2.8469"
                           yFract="0.31737166"
                           z3="5.84643"
                           zFract="0.24920009"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.1022"
                           xFract="0.81819413"
                           y3="2.8512"
                           yFract="0.31785103"
                           z3="6.01651"
                           zFract="0.24976414"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.38838"
                           xFract="0.64391856"
                           y3="1.26552"
                           yFract="0.14107984"
                           z3="7.84419"
                           zFract="0.34641753"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="9.97397"
                           xFract="0.89465972"
                           y3="1.2510"
                           yFract="0.13946115"
                           z3="7.98833"
                           zFract="0.34577717"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="8.63872"
                           xFract="0.64074058"
                           y3="3.49925"
                           yFract="0.39009547"
                           z3="8.1167"
                           zFract="0.35192782"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.26197"
                           xFract="0.89370275"
                           y3="3.51029"
                           yFract="0.39132621"
                           z3="8.21441"
                           zFract="0.34894695"/>
                     <atom elementType="Cu"
                           id="a49"
                           x3="10.35953"
                           xFract="0.66843401"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.90692"
                           zFract="0.05000395"/>
                     <atom elementType="Cu"
                           id="a50"
                           x3="11.64782"
                           xFract="0.66843411"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.0652"
                           zFract="0.05000409"/>
                     <atom elementType="Cu"
                           id="a51"
                           x3="12.9458"
                           xFract="0.91843459"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="2.0652"
                           zFract="0.05000408"/>
                     <atom elementType="Cu"
                           id="a52"
                           x3="14.23408"
                           xFract="0.91843372"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.22348"
                           zFract="0.05000424"/>
                     <atom elementType="Cu"
                           id="a53"
                           x3="11.52189"
                           xFract="0.74343333"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.1228"
                           zFract="0.15000418"/>
                     <atom elementType="Cu"
                           id="a54"
                           x3="12.81018"
                           xFract="0.74343343"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.28107"
                           zFract="0.15000385"/>
                     <atom elementType="Cu"
                           id="a55"
                           x3="14.10815"
                           xFract="0.99343294"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.28107"
                           zFract="0.15000386"/>
                     <atom elementType="Cu"
                           id="a56"
                           x3="15.39644"
                           xFract="0.99343304"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.43935"
                           zFract="0.150004"/>
                     <atom elementType="Cu"
                           id="a57"
                           x3="8.80865"
                           xFract="0.56952036"
                           y3="5.07758"
                           yFract="0.56604729"
                           z3="5.99687"
                           zFract="0.24885238"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="11.39182"
                           xFract="0.81904303"
                           y3="5.08079"
                           yFract="0.56640514"
                           z3="6.15163"
                           zFract="0.24869012"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="10.09995"
                           xFract="0.56889904"
                           y3="7.33657"
                           yFract="0.8178789"
                           z3="6.16594"
                           zFract="0.24932514"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.67265"
                           xFract="0.8176001"
                           y3="7.33635"
                           yFract="0.81785437"
                           z3="6.32405"
                           zFract="0.24935677"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.96486"
                           xFract="0.64282457"
                           y3="5.77017"
                           yFract="0.64325704"
                           z3="8.15568"
                           zFract="0.34614643"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="12.5573"
                           xFract="0.89343656"
                           y3="5.7699"
                           yFract="0.64322694"
                           z3="8.31343"
                           zFract="0.34610421"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="11.24153"
                           xFract="0.64369277"
                           y3="7.97687"
                           yFract="0.88925937"
                           z3="8.55257"
                           zFract="0.35749035"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.83961"
                           xFract="0.89380319"
                           y3="7.99545"
                           yFract="0.89133067"
                           z3="8.52961"
                           zFract="0.34887997"/>
                     <atom elementType="Br"
                           id="a65"
                           x3="3.39106"
                           xFract="0.14863242"
                           y3="3.22635"
                           yFract="0.35967265"
                           z3="10.3074"
                           zFract="0.47081638"/>
                     <atom elementType="Br"
                           id="a66"
                           x3="5.92521"
                           xFract="0.14574172"
                           y3="7.68967"
                           yFract="0.85724239"
                           z3="10.43646"
                           zFract="0.46213495"/>
                     <atom elementType="Br"
                           id="a67"
                           x3="8.45922"
                           xFract="0.63853485"
                           y3="3.22651"
                           yFract="0.35969049"
                           z3="10.61625"
                           zFract="0.47075403"/>
                     <atom elementType="Br"
                           id="a68"
                           x3="11.0916"
                           xFract="0.88437587"
                           y3="3.38168"
                           yFract="0.3769888"
                           z3="10.8866"
                           zFract="0.47564601"/>
                     <atom elementType="Br"
                           id="a69"
                           x3="11.09764"
                           xFract="0.6453985"
                           y3="7.69568"
                           yFract="0.85791239"
                           z3="10.75421"
                           zFract="0.46218159"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a3 a33" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a4 a19" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a17" order="S"/>
                     <bond atomRefs2="a4 a33" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a34" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a26" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a7 a41" order="S"/>
                     <bond atomRefs2="a7 a33" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a37" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a21" order="S"/>
                     <bond atomRefs2="a8 a26" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a34" order="S"/>
                     <bond atomRefs2="a8 a38" order="S"/>
                     <bond atomRefs2="a8 a37" order="S"/>
                     <bond atomRefs2="a8 a23" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a25" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a26" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a15 a29" order="S"/>
                     <bond atomRefs2="a16 a43" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a30" order="S"/>
                     <bond atomRefs2="a16 a26" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a47" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a23" order="S"/>
                     <bond atomRefs2="a19 a34" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a26" order="S"/>
                     <bond atomRefs2="a21 a27" order="S"/>
                     <bond atomRefs2="a21 a23" order="S"/>
                     <bond atomRefs2="a22 a28" order="S"/>
                     <bond atomRefs2="a22 a24" order="S"/>
                     <bond atomRefs2="a22 a23" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a24" order="S"/>
                     <bond atomRefs2="a23 a59" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a57" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a30 a47" order="S"/>
                     <bond atomRefs2="a30 a61" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a66" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a61" order="S"/>
                     <bond atomRefs2="a33 a35" order="S"/>
                     <bond atomRefs2="a33 a34" order="S"/>
                     <bond atomRefs2="a33 a37" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a35" order="S"/>
                     <bond atomRefs2="a34 a38" order="S"/>
                     <bond atomRefs2="a34 a37" order="S"/>
                     <bond atomRefs2="a34 a36" order="S"/>
                     <bond atomRefs2="a35 a36" order="S"/>
                     <bond atomRefs2="a35 a39" order="S"/>
                     <bond atomRefs2="a35 a37" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a40" order="S"/>
                     <bond atomRefs2="a36 a39" order="S"/>
                     <bond atomRefs2="a36 a38" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a40" order="S"/>
                     <bond atomRefs2="a38 a39" order="S"/>
                     <bond atomRefs2="a38 a44" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a43 a57" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a58" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a67" order="S"/>
                     <bond atomRefs2="a47 a57" order="S"/>
                     <bond atomRefs2="a47 a61" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a48 a68" order="S"/>
                     <bond atomRefs2="a48 a58" order="S"/>
                     <bond atomRefs2="a48 a62" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                     <bond atomRefs2="a63 a69" order="S"/>
                     <bond atomRefs2="a67 a68" order="S"/>
                  </bondArray>
                  <formula concise="Br5Cu64">
                     <atomArray count="5 64" elementType="Br Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4466.463999999996</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.7">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">10.364410710831562</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">10.364412581405663</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.16843459"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.16843372"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.4184342"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.4184343"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.24343294"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.24343304"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.49343352"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.49343362"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.05724"
                           xFract="0.06959418"
                           y3="0.58712"
                           yFract="0.06545198"
                           z3="5.35431"
                           zFract="0.24842229"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="3.64313"
                           xFract="0.31912711"
                           y3="0.59488"
                           yFract="0.06631707"
                           z3="5.5166"
                           zFract="0.24859962"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="2.34386"
                           xFract="0.06817118"
                           y3="2.8524"
                           yFract="0.3179848"
                           z3="5.53792"
                           zFract="0.2495836"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.92836"
                           xFract="0.31818725"
                           y3="2.84904"
                           yFract="0.31761023"
                           z3="5.68859"
                           zFract="0.24923564"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.22186"
                           xFract="0.14505463"
                           y3="1.25552"
                           yFract="0.13996504"
                           z3="7.50635"
                           zFract="0.34541327"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="4.80821"
                           xFract="0.39453151"
                           y3="1.26509"
                           yFract="0.1410319"
                           z3="7.67382"
                           zFract="0.34583048"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="3.52295"
                           xFract="0.14612489"
                           y3="3.50109"
                           yFract="0.39030059"
                           z3="7.78585"
                           zFract="0.35108692"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.09096"
                           xFract="0.39379562"
                           y3="3.51126"
                           yFract="0.39143434"
                           z3="7.87613"
                           zFract="0.34791657"/>
                     <atom elementType="Cu"
                           id="a17"
                           x3="5.1870"
                           xFract="0.16843382"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a18"
                           x3="6.47529"
                           xFract="0.16843391"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a19"
                           x3="7.77327"
                           xFract="0.4184344"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a20"
                           x3="9.06156"
                           xFract="0.41843449"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="6.34936"
                           xFract="0.24343314"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="7.63765"
                           xFract="0.24343323"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="8.93563"
                           xFract="0.49343372"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="10.22391"
                           xFract="0.49343285"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="3.6314"
                           xFract="0.06915776"
                           y3="5.07589"
                           yFract="0.56585888"
                           z3="5.6774"
                           zFract="0.24873134"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.21982"
                           xFract="0.31891748"
                           y3="5.08397"
                           yFract="0.56675964"
                           z3="5.82982"
                           zFract="0.24843547"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.92533"
                           xFract="0.06864629"
                           y3="7.33748"
                           yFract="0.81798034"
                           z3="5.84829"
                           zFract="0.24927798"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.50319"
                           xFract="0.31784558"
                           y3="7.33727"
                           yFract="0.81795693"
                           z3="6.00657"
                           zFract="0.24930272"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.79881"
                           xFract="0.144422"
                           y3="5.75268"
                           yFract="0.64130726"
                           z3="7.83934"
                           zFract="0.34616704"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="7.37831"
                           xFract="0.39378038"
                           y3="5.75246"
                           yFract="0.64128273"
                           z3="7.9966"
                           zFract="0.34613897"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.07225"
                           xFract="0.14374407"
                           y3="7.9816"
                           yFract="0.88978667"
                           z3="8.1811"
                           zFract="0.35488381"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.66621"
                           xFract="0.39369668"
                           y3="7.99585"
                           yFract="0.89137526"
                           z3="8.21652"
                           zFract="0.34904515"/>
                     <atom elementType="Cu"
                           id="a33"
                           x3="7.78295"
                           xFract="0.66843382"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a34"
                           x3="9.07124"
                           xFract="0.66843391"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a35"
                           x3="10.36922"
                           xFract="0.9184344"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a36"
                           x3="11.65751"
                           xFract="0.91843449"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a37"
                           x3="8.94531"
                           xFract="0.74343314"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a38"
                           x3="10.2336"
                           xFract="0.74343323"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a39"
                           x3="11.53158"
                           xFract="0.99343372"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a40"
                           x3="12.81986"
                           xFract="0.99343285"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a41"
                           x3="6.2298"
                           xFract="0.56962504"
                           y3="0.58662"
                           yFract="0.06539624"
                           z3="5.67017"
                           zFract="0.24839031"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="8.81555"
                           xFract="0.81911334"
                           y3="0.59494"
                           yFract="0.06632375"
                           z3="5.83323"
                           zFract="0.24860341"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="7.51983"
                           xFract="0.56867549"
                           y3="2.84931"
                           yFract="0.31764033"
                           z3="5.84671"
                           zFract="0.24921276"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.10313"
                           xFract="0.81823127"
                           y3="2.85215"
                           yFract="0.31795693"
                           z3="6.01305"
                           zFract="0.24959674"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.38916"
                           xFract="0.64401006"
                           y3="1.26523"
                           yFract="0.14104751"
                           z3="7.83203"
                           zFract="0.34584242"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="9.97665"
                           xFract="0.89467889"
                           y3="1.25532"
                           yFract="0.13994274"
                           z3="7.98082"
                           zFract="0.34540813"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="8.65051"
                           xFract="0.64177919"
                           y3="3.50107"
                           yFract="0.39029836"
                           z3="8.09958"
                           zFract="0.35108356"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.26167"
                           xFract="0.89365154"
                           y3="3.51069"
                           yFract="0.3913708"
                           z3="8.21745"
                           zFract="0.34909048"/>
                     <atom elementType="Cu"
                           id="a49"
                           x3="10.35953"
                           xFract="0.66843401"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.90692"
                           zFract="0.05000395"/>
                     <atom elementType="Cu"
                           id="a50"
                           x3="11.64782"
                           xFract="0.66843411"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.0652"
                           zFract="0.05000409"/>
                     <atom elementType="Cu"
                           id="a51"
                           x3="12.9458"
                           xFract="0.91843459"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="2.0652"
                           zFract="0.05000408"/>
                     <atom elementType="Cu"
                           id="a52"
                           x3="14.23408"
                           xFract="0.91843372"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.22348"
                           zFract="0.05000424"/>
                     <atom elementType="Cu"
                           id="a53"
                           x3="11.52189"
                           xFract="0.74343333"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.1228"
                           zFract="0.15000418"/>
                     <atom elementType="Cu"
                           id="a54"
                           x3="12.81018"
                           xFract="0.74343343"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.28107"
                           zFract="0.15000385"/>
                     <atom elementType="Cu"
                           id="a55"
                           x3="14.10815"
                           xFract="0.99343294"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.28107"
                           zFract="0.15000386"/>
                     <atom elementType="Cu"
                           id="a56"
                           x3="15.39644"
                           xFract="0.99343304"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.43935"
                           zFract="0.150004"/>
                     <atom elementType="Cu"
                           id="a57"
                           x3="8.80802"
                           xFract="0.56955775"
                           y3="5.07581"
                           yFract="0.56584997"
                           z3="5.99431"
                           zFract="0.24873645"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="11.39219"
                           xFract="0.81917097"
                           y3="5.07913"
                           yFract="0.56622008"
                           z3="6.14902"
                           zFract="0.24856877"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="10.09799"
                           xFract="0.56865738"
                           y3="7.33751"
                           yFract="0.81798369"
                           z3="6.16526"
                           zFract="0.24929716"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.67556"
                           xFract="0.8178292"
                           y3="7.33729"
                           yFract="0.81795916"
                           z3="6.32351"
                           zFract="0.24932134"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.96567"
                           xFract="0.64326993"
                           y3="5.76356"
                           yFract="0.64252016"
                           z3="8.14516"
                           zFract="0.34565912"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="12.55779"
                           xFract="0.89385154"
                           y3="5.76328"
                           yFract="0.64248894"
                           z3="8.30315"
                           zFract="0.34562916"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="11.24483"
                           xFract="0.64377631"
                           y3="7.98111"
                           yFract="0.88973205"
                           z3="8.49682"
                           zFract="0.35484516"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.83897"
                           xFract="0.89372022"
                           y3="7.99583"
                           yFract="0.89137303"
                           z3="8.53309"
                           zFract="0.34904527"/>
                     <atom elementType="Br"
                           id="a65"
                           x3="3.37174"
                           xFract="0.14740791"
                           y3="3.21477"
                           yFract="0.35838172"
                           z3="10.33006"
                           zFract="0.47195988"/>
                     <atom elementType="Br"
                           id="a66"
                           x3="5.91962"
                           xFract="0.14545236"
                           y3="7.68515"
                           yFract="0.8567385"
                           z3="10.51981"
                           zFract="0.46608855"/>
                     <atom elementType="Br"
                           id="a67"
                           x3="8.47368"
                           xFract="0.64057845"
                           y3="3.21488"
                           yFract="0.35839398"
                           z3="10.6414"
                           zFract="0.47191754"/>
                     <atom elementType="Br"
                           id="a68"
                           x3="11.09153"
                           xFract="0.88312965"
                           y3="3.4040"
                           yFract="0.37947703"
                           z3="10.88141"
                           zFract="0.47536423"/>
                     <atom elementType="Br"
                           id="a69"
                           x3="11.09208"
                           xFract="0.64521978"
                           y3="7.68922"
                           yFract="0.85719223"
                           z3="10.83717"
                           zFract="0.46611995"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a3 a33" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a4 a19" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a17" order="S"/>
                     <bond atomRefs2="a4 a33" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a34" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a26" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a7 a41" order="S"/>
                     <bond atomRefs2="a7 a33" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a37" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a21" order="S"/>
                     <bond atomRefs2="a8 a26" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a34" order="S"/>
                     <bond atomRefs2="a8 a38" order="S"/>
                     <bond atomRefs2="a8 a37" order="S"/>
                     <bond atomRefs2="a8 a23" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a25" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a26" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a15 a29" order="S"/>
                     <bond atomRefs2="a16 a43" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a30" order="S"/>
                     <bond atomRefs2="a16 a26" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a47" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a23" order="S"/>
                     <bond atomRefs2="a19 a34" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a26" order="S"/>
                     <bond atomRefs2="a21 a27" order="S"/>
                     <bond atomRefs2="a21 a23" order="S"/>
                     <bond atomRefs2="a22 a28" order="S"/>
                     <bond atomRefs2="a22 a24" order="S"/>
                     <bond atomRefs2="a22 a23" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a24" order="S"/>
                     <bond atomRefs2="a23 a59" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a57" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a30 a47" order="S"/>
                     <bond atomRefs2="a30 a61" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a66" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a61" order="S"/>
                     <bond atomRefs2="a33 a35" order="S"/>
                     <bond atomRefs2="a33 a34" order="S"/>
                     <bond atomRefs2="a33 a37" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a35" order="S"/>
                     <bond atomRefs2="a34 a38" order="S"/>
                     <bond atomRefs2="a34 a37" order="S"/>
                     <bond atomRefs2="a34 a36" order="S"/>
                     <bond atomRefs2="a35 a36" order="S"/>
                     <bond atomRefs2="a35 a39" order="S"/>
                     <bond atomRefs2="a35 a37" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a40" order="S"/>
                     <bond atomRefs2="a36 a39" order="S"/>
                     <bond atomRefs2="a36 a38" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a40" order="S"/>
                     <bond atomRefs2="a38 a39" order="S"/>
                     <bond atomRefs2="a38 a44" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a43 a57" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a58" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a67" order="S"/>
                     <bond atomRefs2="a47 a57" order="S"/>
                     <bond atomRefs2="a47 a61" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a48 a68" order="S"/>
                     <bond atomRefs2="a48 a58" order="S"/>
                     <bond atomRefs2="a48 a62" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                     <bond atomRefs2="a63 a69" order="S"/>
                     <bond atomRefs2="a67 a68" order="S"/>
                  </bondArray>
                  <formula concise="Br5Cu64">
                     <atomArray count="5 64" elementType="Br Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4466.463999999996</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.8">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">10.364410710831562</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">10.364412581405663</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.16843459"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.16843372"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.4184342"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.4184343"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.24343294"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.24343304"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.49343352"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.49343362"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.0572"
                           xFract="0.06958976"
                           y3="0.58713"
                           yFract="0.0654531"
                           z3="5.35414"
                           zFract="0.24841437"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="3.64305"
                           xFract="0.31909328"
                           y3="0.59535"
                           yFract="0.06636946"
                           z3="5.51727"
                           zFract="0.24863066"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="2.34375"
                           xFract="0.06817221"
                           y3="2.85219"
                           yFract="0.31796139"
                           z3="5.5387"
                           zFract="0.24962105"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.9279"
                           xFract="0.31817388"
                           y3="2.84848"
                           yFract="0.3175478"
                           z3="5.68852"
                           zFract="0.2492346"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.22225"
                           xFract="0.14514786"
                           y3="1.25452"
                           yFract="0.13985356"
                           z3="7.50812"
                           zFract="0.34549727"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="4.80804"
                           xFract="0.39451064"
                           y3="1.26517"
                           yFract="0.14104082"
                           z3="7.67657"
                           zFract="0.3459605"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="3.52516"
                           xFract="0.14636128"
                           y3="3.50068"
                           yFract="0.39025489"
                           z3="7.79005"
                           zFract="0.35127925"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.09123"
                           xFract="0.39382283"
                           y3="3.51124"
                           yFract="0.39143211"
                           z3="7.87274"
                           zFract="0.34775599"/>
                     <atom elementType="Cu"
                           id="a17"
                           x3="5.1870"
                           xFract="0.16843382"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a18"
                           x3="6.47529"
                           xFract="0.16843391"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a19"
                           x3="7.77327"
                           xFract="0.4184344"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a20"
                           x3="9.06156"
                           xFract="0.41843449"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="6.34936"
                           xFract="0.24343314"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="7.63765"
                           xFract="0.24343323"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="8.93563"
                           xFract="0.49343372"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="10.22391"
                           xFract="0.49343285"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="3.63109"
                           xFract="0.06910503"
                           y3="5.0763"
                           yFract="0.56590459"
                           z3="5.67795"
                           zFract="0.24875748"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.21975"
                           xFract="0.31886018"
                           y3="5.08488"
                           yFract="0.56686109"
                           z3="5.83013"
                           zFract="0.24844877"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.92576"
                           xFract="0.06870007"
                           y3="7.33726"
                           yFract="0.81795582"
                           z3="5.8484"
                           zFract="0.24928229"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.50254"
                           xFract="0.31779496"
                           y3="7.33705"
                           yFract="0.81793241"
                           z3="6.00666"
                           zFract="0.24930921"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.79925"
                           xFract="0.14444676"
                           y3="5.7530"
                           yFract="0.64134293"
                           z3="7.84291"
                           zFract="0.34633356"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="7.37744"
                           xFract="0.39367795"
                           y3="5.75279"
                           yFract="0.64131952"
                           z3="8.00003"
                           zFract="0.34630265"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.07149"
                           xFract="0.1437217"
                           y3="7.98068"
                           yFract="0.88968411"
                           z3="8.19388"
                           zFract="0.35549011"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.66633"
                           xFract="0.39371328"
                           y3="7.99576"
                           yFract="0.89136523"
                           z3="8.21573"
                           zFract="0.3490077"/>
                     <atom elementType="Cu"
                           id="a33"
                           x3="7.78295"
                           xFract="0.66843382"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a34"
                           x3="9.07124"
                           xFract="0.66843391"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a35"
                           x3="10.36922"
                           xFract="0.9184344"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a36"
                           x3="11.65751"
                           xFract="0.91843449"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a37"
                           x3="8.94531"
                           xFract="0.74343314"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a38"
                           x3="10.2336"
                           xFract="0.74343323"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a39"
                           x3="11.53158"
                           xFract="0.99343372"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a40"
                           x3="12.81986"
                           xFract="0.99343285"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a41"
                           x3="6.22977"
                           xFract="0.56962436"
                           y3="0.58658"
                           yFract="0.06539178"
                           z3="5.66992"
                           zFract="0.24837868"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="8.81546"
                           xFract="0.81907798"
                           y3="0.59542"
                           yFract="0.06637727"
                           z3="5.83391"
                           zFract="0.24863493"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="7.52011"
                           xFract="0.5687331"
                           y3="2.84876"
                           yFract="0.31757902"
                           z3="5.84664"
                           zFract="0.24920957"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.10292"
                           xFract="0.81822319"
                           y3="2.85193"
                           yFract="0.31793241"
                           z3="6.01384"
                           zFract="0.24963496"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.38898"
                           xFract="0.64398878"
                           y3="1.2653"
                           yFract="0.14105531"
                           z3="7.8348"
                           zFract="0.34597343"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="9.97604"
                           xFract="0.89467434"
                           y3="1.25434"
                           yFract="0.13983349"
                           z3="7.98253"
                           zFract="0.34549215"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="8.64783"
                           xFract="0.64154345"
                           y3="3.50065"
                           yFract="0.39025154"
                           z3="8.10348"
                           zFract="0.35127587"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.26174"
                           xFract="0.8936633"
                           y3="3.5106"
                           yFract="0.39136077"
                           z3="8.21676"
                           zFract="0.34905789"/>
                     <atom elementType="Cu"
                           id="a49"
                           x3="10.35953"
                           xFract="0.66843401"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.90692"
                           zFract="0.05000395"/>
                     <atom elementType="Cu"
                           id="a50"
                           x3="11.64782"
                           xFract="0.66843411"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.0652"
                           zFract="0.05000409"/>
                     <atom elementType="Cu"
                           id="a51"
                           x3="12.9458"
                           xFract="0.91843459"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="2.0652"
                           zFract="0.05000408"/>
                     <atom elementType="Cu"
                           id="a52"
                           x3="14.23408"
                           xFract="0.91843372"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.22348"
                           zFract="0.05000424"/>
                     <atom elementType="Cu"
                           id="a53"
                           x3="11.52189"
                           xFract="0.74343333"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.1228"
                           zFract="0.15000418"/>
                     <atom elementType="Cu"
                           id="a54"
                           x3="12.81018"
                           xFract="0.74343343"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.28107"
                           zFract="0.15000385"/>
                     <atom elementType="Cu"
                           id="a55"
                           x3="14.10815"
                           xFract="0.99343294"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.28107"
                           zFract="0.15000386"/>
                     <atom elementType="Cu"
                           id="a56"
                           x3="15.39644"
                           xFract="0.99343304"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.43935"
                           zFract="0.150004"/>
                     <atom elementType="Cu"
                           id="a57"
                           x3="8.80816"
                           xFract="0.56954852"
                           y3="5.07622"
                           yFract="0.56589567"
                           z3="5.99489"
                           zFract="0.24876271"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="11.39211"
                           xFract="0.81914214"
                           y3="5.07951"
                           yFract="0.56626244"
                           z3="6.14961"
                           zFract="0.24859618"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="10.09843"
                           xFract="0.56871213"
                           y3="7.33729"
                           yFract="0.81795916"
                           z3="6.16542"
                           zFract="0.2493038"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.6749"
                           xFract="0.81777706"
                           y3="7.33708"
                           yFract="0.81793575"
                           z3="6.32363"
                           zFract="0.24932926"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.96549"
                           xFract="0.64316923"
                           y3="5.76506"
                           yFract="0.64268738"
                           z3="8.14755"
                           zFract="0.34576982"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="12.55768"
                           xFract="0.89375706"
                           y3="5.76479"
                           yFract="0.64265728"
                           z3="8.30549"
                           zFract="0.34573728"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="11.24408"
                           xFract="0.64375712"
                           y3="7.98015"
                           yFract="0.88962503"
                           z3="8.50951"
                           zFract="0.35544725"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.83911"
                           xFract="0.8937382"
                           y3="7.99575"
                           yFract="0.89136411"
                           z3="8.53229"
                           zFract="0.34900728"/>
                     <atom elementType="Br"
                           id="a65"
                           x3="3.37614"
                           xFract="0.14768663"
                           y3="3.21741"
                           yFract="0.35867602"
                           z3="10.3249"
                           zFract="0.47169948"/>
                     <atom elementType="Br"
                           id="a66"
                           x3="5.92089"
                           xFract="0.14551793"
                           y3="7.68618"
                           yFract="0.85685333"
                           z3="10.50083"
                           zFract="0.46518827"/>
                     <atom elementType="Br"
                           id="a67"
                           x3="8.47038"
                           xFract="0.6401123"
                           y3="3.21753"
                           yFract="0.3586894"
                           z3="10.63568"
                           zFract="0.47165294"/>
                     <atom elementType="Br"
                           id="a68"
                           x3="11.09155"
                           xFract="0.88341424"
                           y3="3.39891"
                           yFract="0.37890959"
                           z3="10.8826"
                           zFract="0.47542878"/>
                     <atom elementType="Br"
                           id="a69"
                           x3="11.09335"
                           xFract="0.64526091"
                           y3="7.69069"
                           yFract="0.8573561"
                           z3="10.81829"
                           zFract="0.46522365"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a3 a33" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a4 a19" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a17" order="S"/>
                     <bond atomRefs2="a4 a33" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a34" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a26" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a7 a41" order="S"/>
                     <bond atomRefs2="a7 a33" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a37" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a21" order="S"/>
                     <bond atomRefs2="a8 a26" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a34" order="S"/>
                     <bond atomRefs2="a8 a38" order="S"/>
                     <bond atomRefs2="a8 a37" order="S"/>
                     <bond atomRefs2="a8 a23" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a25" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a26" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a15 a29" order="S"/>
                     <bond atomRefs2="a16 a43" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a30" order="S"/>
                     <bond atomRefs2="a16 a26" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a47" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a23" order="S"/>
                     <bond atomRefs2="a19 a34" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a26" order="S"/>
                     <bond atomRefs2="a21 a27" order="S"/>
                     <bond atomRefs2="a21 a23" order="S"/>
                     <bond atomRefs2="a22 a28" order="S"/>
                     <bond atomRefs2="a22 a24" order="S"/>
                     <bond atomRefs2="a22 a23" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a24" order="S"/>
                     <bond atomRefs2="a23 a59" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a57" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a30 a47" order="S"/>
                     <bond atomRefs2="a30 a61" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a66" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a61" order="S"/>
                     <bond atomRefs2="a33 a35" order="S"/>
                     <bond atomRefs2="a33 a34" order="S"/>
                     <bond atomRefs2="a33 a37" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a35" order="S"/>
                     <bond atomRefs2="a34 a38" order="S"/>
                     <bond atomRefs2="a34 a37" order="S"/>
                     <bond atomRefs2="a34 a36" order="S"/>
                     <bond atomRefs2="a35 a36" order="S"/>
                     <bond atomRefs2="a35 a39" order="S"/>
                     <bond atomRefs2="a35 a37" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a40" order="S"/>
                     <bond atomRefs2="a36 a39" order="S"/>
                     <bond atomRefs2="a36 a38" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a40" order="S"/>
                     <bond atomRefs2="a38 a39" order="S"/>
                     <bond atomRefs2="a38 a44" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a43 a57" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a58" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a67" order="S"/>
                     <bond atomRefs2="a47 a57" order="S"/>
                     <bond atomRefs2="a47 a61" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a48 a68" order="S"/>
                     <bond atomRefs2="a48 a58" order="S"/>
                     <bond atomRefs2="a48 a62" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                     <bond atomRefs2="a63 a69" order="S"/>
                     <bond atomRefs2="a67 a68" order="S"/>
                  </bondArray>
                  <formula concise="Br5Cu64">
                     <atomArray count="5 64" elementType="Br Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4466.463999999996</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.9">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">10.364410710831562</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">10.364412581405663</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.16843459"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.16843372"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.4184342"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.4184343"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.24343294"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.24343304"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.49343352"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.49343362"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.05675"
                           xFract="0.0696862"
                           y3="0.58461"
                           yFract="0.06517217"
                           z3="5.35976"
                           zFract="0.24868486"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="3.64322"
                           xFract="0.31910693"
                           y3="0.5954"
                           yFract="0.06637504"
                           z3="5.51949"
                           zFract="0.24873475"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="2.34452"
                           xFract="0.0682322"
                           y3="2.85245"
                           yFract="0.31799038"
                           z3="5.54246"
                           zFract="0.24979567"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.92615"
                           xFract="0.31803471"
                           y3="2.84794"
                           yFract="0.3174876"
                           z3="5.68897"
                           zFract="0.24926177"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.22248"
                           xFract="0.14520564"
                           y3="1.25388"
                           yFract="0.13978221"
                           z3="7.50908"
                           zFract="0.34554294"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="4.80873"
                           xFract="0.39461565"
                           y3="1.26448"
                           yFract="0.1409639"
                           z3="7.67896"
                           zFract="0.34607235"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="3.52751"
                           xFract="0.14655624"
                           y3="3.50126"
                           yFract="0.39031955"
                           z3="7.79462"
                           zFract="0.35148698"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.0916"
                           xFract="0.39385527"
                           y3="3.5113"
                           yFract="0.3914388"
                           z3="7.86757"
                           zFract="0.34751106"/>
                     <atom elementType="Cu"
                           id="a17"
                           x3="5.1870"
                           xFract="0.16843382"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a18"
                           x3="6.47529"
                           xFract="0.16843391"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a19"
                           x3="7.77327"
                           xFract="0.4184344"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a20"
                           x3="9.06156"
                           xFract="0.41843449"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="6.34936"
                           xFract="0.24343314"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="7.63765"
                           xFract="0.24343323"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="8.93563"
                           xFract="0.49343372"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="10.22391"
                           xFract="0.49343285"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="3.63089"
                           xFract="0.06908014"
                           y3="5.0764"
                           yFract="0.56591574"
                           z3="5.68376"
                           zFract="0.24903183"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.21948"
                           xFract="0.31875578"
                           y3="5.08629"
                           yFract="0.56701827"
                           z3="5.83209"
                           zFract="0.24853961"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.92768"
                           xFract="0.06884679"
                           y3="7.33796"
                           yFract="0.81803385"
                           z3="5.85403"
                           zFract="0.24954103"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.49963"
                           xFract="0.3174698"
                           y3="7.33784"
                           yFract="0.81802048"
                           z3="6.0118"
                           zFract="0.24955863"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.79883"
                           xFract="0.14442338"
                           y3="5.75269"
                           yFract="0.64130837"
                           z3="7.84563"
                           zFract="0.34646353"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="7.37747"
                           xFract="0.39369751"
                           y3="5.75249"
                           yFract="0.64128607"
                           z3="8.00285"
                           zFract="0.34643603"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.07225"
                           xFract="0.14359636"
                           y3="7.98426"
                           yFract="0.89008321"
                           z3="8.1844"
                           zFract="0.35503496"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.66681"
                           xFract="0.39372636"
                           y3="7.99636"
                           yFract="0.89143211"
                           z3="8.21027"
                           zFract="0.34874788"/>
                     <atom elementType="Cu"
                           id="a33"
                           x3="7.78295"
                           xFract="0.66843382"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a34"
                           x3="9.07124"
                           xFract="0.66843391"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a35"
                           x3="10.36922"
                           xFract="0.9184344"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a36"
                           x3="11.65751"
                           xFract="0.91843449"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a37"
                           x3="8.94531"
                           xFract="0.74343314"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a38"
                           x3="10.2336"
                           xFract="0.74343323"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a39"
                           x3="11.53158"
                           xFract="0.99343372"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a40"
                           x3="12.81986"
                           xFract="0.99343285"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a41"
                           x3="6.22925"
                           xFract="0.56970348"
                           y3="0.58425"
                           yFract="0.06513204"
                           z3="5.67653"
                           zFract="0.24869573"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="8.81468"
                           xFract="0.81900036"
                           y3="0.59546"
                           yFract="0.06638172"
                           z3="5.83606"
                           zFract="0.24873849"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="7.52142"
                           xFract="0.56889027"
                           y3="2.84821"
                           yFract="0.3175177"
                           z3="5.84743"
                           zFract="0.24924396"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.10147"
                           xFract="0.81806859"
                           y3="2.85219"
                           yFract="0.31796139"
                           z3="6.01738"
                           zFract="0.24980562"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.38805"
                           xFract="0.64394331"
                           y3="1.2645"
                           yFract="0.14096613"
                           z3="7.83702"
                           zFract="0.34608212"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="9.97577"
                           xFract="0.89467712"
                           y3="1.25382"
                           yFract="0.13977552"
                           z3="7.98352"
                           zFract="0.34554048"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="8.64531"
                           xFract="0.64125432"
                           y3="3.50147"
                           yFract="0.39034296"
                           z3="8.10761"
                           zFract="0.3514765"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.26196"
                           xFract="0.89367124"
                           y3="3.51084"
                           yFract="0.39138752"
                           z3="8.21573"
                           zFract="0.34900829"/>
                     <atom elementType="Cu"
                           id="a49"
                           x3="10.35953"
                           xFract="0.66843401"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.90692"
                           zFract="0.05000395"/>
                     <atom elementType="Cu"
                           id="a50"
                           x3="11.64782"
                           xFract="0.66843411"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.0652"
                           zFract="0.05000409"/>
                     <atom elementType="Cu"
                           id="a51"
                           x3="12.9458"
                           xFract="0.91843459"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="2.0652"
                           zFract="0.05000408"/>
                     <atom elementType="Cu"
                           id="a52"
                           x3="14.23408"
                           xFract="0.91843372"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.22348"
                           zFract="0.05000424"/>
                     <atom elementType="Cu"
                           id="a53"
                           x3="11.52189"
                           xFract="0.74343333"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.1228"
                           zFract="0.15000418"/>
                     <atom elementType="Cu"
                           id="a54"
                           x3="12.81018"
                           xFract="0.74343343"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.28107"
                           zFract="0.15000385"/>
                     <atom elementType="Cu"
                           id="a55"
                           x3="14.10815"
                           xFract="0.99343294"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.28107"
                           zFract="0.15000386"/>
                     <atom elementType="Cu"
                           id="a56"
                           x3="15.39644"
                           xFract="0.99343304"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.43935"
                           zFract="0.150004"/>
                     <atom elementType="Cu"
                           id="a57"
                           x3="8.80734"
                           xFract="0.56946315"
                           y3="5.07633"
                           yFract="0.56590794"
                           z3="6.00065"
                           zFract="0.24903647"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="11.39173"
                           xFract="0.81907931"
                           y3="5.07998"
                           yFract="0.56631484"
                           z3="6.15277"
                           zFract="0.24874549"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="10.1006"
                           xFract="0.56884137"
                           y3="7.33874"
                           yFract="0.81812081"
                           z3="6.16999"
                           zFract="0.24951059"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.67187"
                           xFract="0.81739865"
                           y3="7.33862"
                           yFract="0.81810743"
                           z3="6.3277"
                           zFract="0.24952733"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.96408"
                           xFract="0.64306903"
                           y3="5.76441"
                           yFract="0.64261491"
                           z3="8.14902"
                           zFract="0.34584428"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="12.55881"
                           xFract="0.89390238"
                           y3="5.76414"
                           yFract="0.64258481"
                           z3="8.30705"
                           zFract="0.34580866"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="11.24483"
                           xFract="0.64358306"
                           y3="7.98459"
                           yFract="0.89012"
                           z3="8.50032"
                           zFract="0.35500437"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.83964"
                           xFract="0.89375722"
                           y3="7.99633"
                           yFract="0.89142877"
                           z3="8.52684"
                           zFract="0.34874781"/>
                     <atom elementType="Br"
                           id="a65"
                           x3="3.38813"
                           xFract="0.14850524"
                           y3="3.22354"
                           yFract="0.35935939"
                           z3="10.3130"
                           zFract="0.47109357"/>
                     <atom elementType="Br"
                           id="a66"
                           x3="5.92155"
                           xFract="0.1456889"
                           y3="7.68425"
                           yFract="0.85663817"
                           z3="10.49133"
                           zFract="0.46474166"/>
                     <atom elementType="Br"
                           id="a67"
                           x3="8.46039"
                           xFract="0.63883398"
                           y3="3.22316"
                           yFract="0.35931703"
                           z3="10.62223"
                           zFract="0.4710382"/>
                     <atom elementType="Br"
                           id="a68"
                           x3="11.09169"
                           xFract="0.88402584"
                           y3="3.38814"
                           yFract="0.37770896"
                           z3="10.8868"
                           zFract="0.47564439"/>
                     <atom elementType="Br"
                           id="a69"
                           x3="11.09384"
                           xFract="0.64535104"
                           y3="7.68992"
                           yFract="0.85727026"
                           z3="10.80853"
                           zFract="0.46476334"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a3 a33" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a4 a19" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a17" order="S"/>
                     <bond atomRefs2="a4 a33" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a34" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a26" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a7 a41" order="S"/>
                     <bond atomRefs2="a7 a33" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a37" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a21" order="S"/>
                     <bond atomRefs2="a8 a26" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a34" order="S"/>
                     <bond atomRefs2="a8 a38" order="S"/>
                     <bond atomRefs2="a8 a37" order="S"/>
                     <bond atomRefs2="a8 a23" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a25" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a26" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a15 a29" order="S"/>
                     <bond atomRefs2="a16 a43" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a30" order="S"/>
                     <bond atomRefs2="a16 a26" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a47" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a23" order="S"/>
                     <bond atomRefs2="a19 a34" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a26" order="S"/>
                     <bond atomRefs2="a21 a27" order="S"/>
                     <bond atomRefs2="a21 a23" order="S"/>
                     <bond atomRefs2="a22 a28" order="S"/>
                     <bond atomRefs2="a22 a24" order="S"/>
                     <bond atomRefs2="a22 a23" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a24" order="S"/>
                     <bond atomRefs2="a23 a59" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a57" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a30 a47" order="S"/>
                     <bond atomRefs2="a30 a61" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a66" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a61" order="S"/>
                     <bond atomRefs2="a33 a35" order="S"/>
                     <bond atomRefs2="a33 a34" order="S"/>
                     <bond atomRefs2="a33 a37" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a35" order="S"/>
                     <bond atomRefs2="a34 a38" order="S"/>
                     <bond atomRefs2="a34 a37" order="S"/>
                     <bond atomRefs2="a34 a36" order="S"/>
                     <bond atomRefs2="a35 a36" order="S"/>
                     <bond atomRefs2="a35 a39" order="S"/>
                     <bond atomRefs2="a35 a37" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a40" order="S"/>
                     <bond atomRefs2="a36 a39" order="S"/>
                     <bond atomRefs2="a36 a38" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a40" order="S"/>
                     <bond atomRefs2="a38 a39" order="S"/>
                     <bond atomRefs2="a38 a44" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a43 a57" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a58" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a67" order="S"/>
                     <bond atomRefs2="a47 a57" order="S"/>
                     <bond atomRefs2="a47 a61" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a48 a68" order="S"/>
                     <bond atomRefs2="a48 a58" order="S"/>
                     <bond atomRefs2="a48 a62" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                     <bond atomRefs2="a63 a69" order="S"/>
                     <bond atomRefs2="a67 a68" order="S"/>
                  </bondArray>
                  <formula concise="Br5Cu64">
                     <atomArray count="5 64" elementType="Br Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4466.463999999996</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.10">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">10.364410710831562</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">10.364412581405663</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.16843459"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.16843372"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.4184342"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.4184343"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.24343294"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.24343304"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.49343352"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.49343362"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.05537"
                           xFract="0.06997151"
                           y3="0.57707"
                           yFract="0.06433161"
                           z3="5.37661"
                           zFract="0.24949591"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="3.64372"
                           xFract="0.31914805"
                           y3="0.59553"
                           yFract="0.06638953"
                           z3="5.52615"
                           zFract="0.24904711"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="2.34682"
                           xFract="0.06841177"
                           y3="2.85322"
                           yFract="0.31807622"
                           z3="5.55373"
                           zFract="0.25031913"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.92088"
                           xFract="0.31761525"
                           y3="2.84632"
                           yFract="0.31730701"
                           z3="5.69035"
                           zFract="0.24934475"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.22315"
                           xFract="0.14537702"
                           y3="1.25196"
                           yFract="0.13956817"
                           z3="7.51197"
                           zFract="0.34568047"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="4.81078"
                           xFract="0.39492877"
                           y3="1.26241"
                           yFract="0.14073314"
                           z3="7.68612"
                           zFract="0.34640748"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="3.53453"
                           xFract="0.14713875"
                           y3="3.50299"
                           yFract="0.39051241"
                           z3="7.80831"
                           zFract="0.35210931"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.0927"
                           xFract="0.39395105"
                           y3="3.51149"
                           yFract="0.39145998"
                           z3="7.85203"
                           zFract="0.34677486"/>
                     <atom elementType="Cu"
                           id="a17"
                           x3="5.1870"
                           xFract="0.16843382"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a18"
                           x3="6.47529"
                           xFract="0.16843391"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a19"
                           x3="7.77327"
                           xFract="0.4184344"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a20"
                           x3="9.06156"
                           xFract="0.41843449"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="6.34936"
                           xFract="0.24343314"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="7.63765"
                           xFract="0.24343323"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="8.93563"
                           xFract="0.49343372"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="10.22391"
                           xFract="0.49343285"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="3.63027"
                           xFract="0.06900466"
                           y3="5.07668"
                           yFract="0.56594695"
                           z3="5.70122"
                           zFract="0.24985638"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.21868"
                           xFract="0.31844466"
                           y3="5.0905"
                           yFract="0.5674876"
                           z3="5.83799"
                           zFract="0.24881307"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.93344"
                           xFract="0.06928641"
                           y3="7.34007"
                           yFract="0.81826908"
                           z3="5.87093"
                           zFract="0.25031772"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.4909"
                           xFract="0.31649598"
                           y3="7.34018"
                           yFract="0.81828134"
                           z3="6.02725"
                           zFract="0.25030838"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.79757"
                           xFract="0.14435433"
                           y3="5.75174"
                           yFract="0.64120247"
                           z3="7.85382"
                           zFract="0.34685491"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="7.37756"
                           xFract="0.39375619"
                           y3="5.75159"
                           yFract="0.64118574"
                           z3="8.01133"
                           zFract="0.3468371"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.07454"
                           xFract="0.14322298"
                           y3="7.99497"
                           yFract="0.89127716"
                           z3="8.15597"
                           zFract="0.35367001"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.66823"
                           xFract="0.39376478"
                           y3="7.99814"
                           yFract="0.89163055"
                           z3="8.19391"
                           zFract="0.34796944"/>
                     <atom elementType="Cu"
                           id="a33"
                           x3="7.78295"
                           xFract="0.66843382"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a34"
                           x3="9.07124"
                           xFract="0.66843391"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a35"
                           x3="10.36922"
                           xFract="0.9184344"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a36"
                           x3="11.65751"
                           xFract="0.91843449"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a37"
                           x3="8.94531"
                           xFract="0.74343314"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a38"
                           x3="10.2336"
                           xFract="0.74343323"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a39"
                           x3="11.53158"
                           xFract="0.99343372"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a40"
                           x3="12.81986"
                           xFract="0.99343285"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a41"
                           x3="6.2277"
                           xFract="0.56994293"
                           y3="0.57724"
                           yFract="0.06435056"
                           z3="5.69636"
                           zFract="0.24964688"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="8.81232"
                           xFract="0.81876668"
                           y3="0.59556"
                           yFract="0.06639287"
                           z3="5.8425"
                           zFract="0.24904878"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="7.52534"
                           xFract="0.56936138"
                           y3="2.84655"
                           yFract="0.31733265"
                           z3="5.8498"
                           zFract="0.24934716"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.09714"
                           xFract="0.81760783"
                           y3="2.85295"
                           yFract="0.31804612"
                           z3="6.02801"
                           zFract="0.25031804"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.38526"
                           xFract="0.64380744"
                           y3="1.26209"
                           yFract="0.14069746"
                           z3="7.84368"
                           zFract="0.34640821"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="9.97494"
                           xFract="0.89468407"
                           y3="1.25225"
                           yFract="0.1396005"
                           z3="7.9865"
                           zFract="0.345686"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="8.63775"
                           xFract="0.64038749"
                           y3="3.50392"
                           yFract="0.39061608"
                           z3="8.1200"
                           zFract="0.35207841"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.26262"
                           xFract="0.89369506"
                           y3="3.51156"
                           yFract="0.39146779"
                           z3="8.21264"
                           zFract="0.34885949"/>
                     <atom elementType="Cu"
                           id="a49"
                           x3="10.35953"
                           xFract="0.66843401"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.90692"
                           zFract="0.05000395"/>
                     <atom elementType="Cu"
                           id="a50"
                           x3="11.64782"
                           xFract="0.66843411"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.0652"
                           zFract="0.05000409"/>
                     <atom elementType="Cu"
                           id="a51"
                           x3="12.9458"
                           xFract="0.91843459"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="2.0652"
                           zFract="0.05000408"/>
                     <atom elementType="Cu"
                           id="a52"
                           x3="14.23408"
                           xFract="0.91843372"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.22348"
                           zFract="0.05000424"/>
                     <atom elementType="Cu"
                           id="a53"
                           x3="11.52189"
                           xFract="0.74343333"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.1228"
                           zFract="0.15000418"/>
                     <atom elementType="Cu"
                           id="a54"
                           x3="12.81018"
                           xFract="0.74343343"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.28107"
                           zFract="0.15000385"/>
                     <atom elementType="Cu"
                           id="a55"
                           x3="14.10815"
                           xFract="0.99343294"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.28107"
                           zFract="0.15000386"/>
                     <atom elementType="Cu"
                           id="a56"
                           x3="15.39644"
                           xFract="0.99343304"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.43935"
                           zFract="0.150004"/>
                     <atom elementType="Cu"
                           id="a57"
                           x3="8.80489"
                           xFract="0.56920799"
                           y3="5.07666"
                           yFract="0.56594472"
                           z3="6.01793"
                           zFract="0.24985774"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="11.39059"
                           xFract="0.81889081"
                           y3="5.08139"
                           yFract="0.56647202"
                           z3="6.16225"
                           zFract="0.2491934"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="10.1071"
                           xFract="0.56922924"
                           y3="7.34307"
                           yFract="0.81860352"
                           z3="6.18372"
                           zFract="0.25013197"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.6628"
                           xFract="0.81626424"
                           y3="7.34326"
                           yFract="0.8186247"
                           z3="6.33989"
                           zFract="0.2501205"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.95988"
                           xFract="0.64277132"
                           y3="5.76246"
                           yFract="0.64239753"
                           z3="8.1534"
                           zFract="0.34606617"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="12.56218"
                           xFract="0.89433587"
                           y3="5.7622"
                           yFract="0.64236854"
                           z3="8.31176"
                           zFract="0.34602425"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="11.2471"
                           xFract="0.64306281"
                           y3="7.99791"
                           yFract="0.89160491"
                           z3="8.47275"
                           zFract="0.35367566"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.84122"
                           xFract="0.89381222"
                           y3="7.99809"
                           yFract="0.89162497"
                           z3="8.51047"
                           zFract="0.34796848"/>
                     <atom elementType="Br"
                           id="a65"
                           x3="3.42411"
                           xFract="0.15096201"
                           y3="3.24193"
                           yFract="0.36140951"
                           z3="10.27732"
                           zFract="0.46927674"/>
                     <atom elementType="Br"
                           id="a66"
                           x3="5.92353"
                           xFract="0.14620127"
                           y3="7.67847"
                           yFract="0.85599382"
                           z3="10.46282"
                           zFract="0.46340137"/>
                     <atom elementType="Br"
                           id="a67"
                           x3="8.43042"
                           xFract="0.63499847"
                           y3="3.24006"
                           yFract="0.36120104"
                           z3="10.58187"
                           zFract="0.4691935"/>
                     <atom elementType="Br"
                           id="a68"
                           x3="11.09211"
                           xFract="0.88586176"
                           y3="3.35581"
                           yFract="0.37410482"
                           z3="10.8994"
                           zFract="0.47629126"/>
                     <atom elementType="Br"
                           id="a69"
                           x3="11.09529"
                           xFract="0.64561837"
                           y3="7.68763"
                           yFract="0.85701497"
                           z3="10.77926"
                           zFract="0.46338291"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a3 a33" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a4 a19" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a17" order="S"/>
                     <bond atomRefs2="a4 a33" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a34" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a26" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a33" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a41" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a37" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a21" order="S"/>
                     <bond atomRefs2="a8 a26" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a34" order="S"/>
                     <bond atomRefs2="a8 a38" order="S"/>
                     <bond atomRefs2="a8 a37" order="S"/>
                     <bond atomRefs2="a8 a23" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a25" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a26" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a15 a29" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a43" order="S"/>
                     <bond atomRefs2="a16 a30" order="S"/>
                     <bond atomRefs2="a16 a26" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a47" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a23" order="S"/>
                     <bond atomRefs2="a19 a34" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a26" order="S"/>
                     <bond atomRefs2="a21 a27" order="S"/>
                     <bond atomRefs2="a21 a23" order="S"/>
                     <bond atomRefs2="a22 a28" order="S"/>
                     <bond atomRefs2="a22 a24" order="S"/>
                     <bond atomRefs2="a22 a23" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a24" order="S"/>
                     <bond atomRefs2="a23 a59" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a57" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a30 a47" order="S"/>
                     <bond atomRefs2="a30 a61" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a66" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a61" order="S"/>
                     <bond atomRefs2="a33 a35" order="S"/>
                     <bond atomRefs2="a33 a34" order="S"/>
                     <bond atomRefs2="a33 a37" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a35" order="S"/>
                     <bond atomRefs2="a34 a38" order="S"/>
                     <bond atomRefs2="a34 a37" order="S"/>
                     <bond atomRefs2="a34 a36" order="S"/>
                     <bond atomRefs2="a35 a36" order="S"/>
                     <bond atomRefs2="a35 a39" order="S"/>
                     <bond atomRefs2="a35 a37" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a40" order="S"/>
                     <bond atomRefs2="a36 a39" order="S"/>
                     <bond atomRefs2="a36 a38" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a40" order="S"/>
                     <bond atomRefs2="a38 a39" order="S"/>
                     <bond atomRefs2="a38 a44" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a43 a57" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a58" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a67" order="S"/>
                     <bond atomRefs2="a47 a57" order="S"/>
                     <bond atomRefs2="a47 a61" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a48 a58" order="S"/>
                     <bond atomRefs2="a48 a62" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                     <bond atomRefs2="a63 a69" order="S"/>
                     <bond atomRefs2="a67 a68" order="S"/>
                  </bondArray>
                  <formula concise="Br5Cu64">
                     <atomArray count="5 64" elementType="Br Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4466.463999999996</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.11">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">10.364410710831562</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">10.364412581405663</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.16843459"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.16843372"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.4184342"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.4184343"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.24343294"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.24343304"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.49343352"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.49343362"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.05263"
                           xFract="0.07054517"
                           y3="0.56197"
                           yFract="0.06264827"
                           z3="5.41032"
                           zFract="0.25111844"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="3.64473"
                           xFract="0.31923068"
                           y3="0.5958"
                           yFract="0.06641963"
                           z3="5.53946"
                           zFract="0.24967131"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="2.35141"
                           xFract="0.06876939"
                           y3="2.85477"
                           yFract="0.31824901"
                           z3="5.57628"
                           zFract="0.25136652"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.91035"
                           xFract="0.31677729"
                           y3="2.84308"
                           yFract="0.31694581"
                           z3="5.69309"
                           zFract="0.24950973"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.22449"
                           xFract="0.14571979"
                           y3="1.24812"
                           yFract="0.13914009"
                           z3="7.51773"
                           zFract="0.3459546"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="4.81488"
                           xFract="0.39555499"
                           y3="1.25827"
                           yFract="0.14027161"
                           z3="7.70045"
                           zFract="0.34707822"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="3.54857"
                           xFract="0.14830268"
                           y3="3.50647"
                           yFract="0.39090035"
                           z3="7.8357"
                           zFract="0.35335441"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.0949"
                           xFract="0.39414205"
                           y3="3.51188"
                           yFract="0.39150346"
                           z3="7.82096"
                           zFract="0.34530293"/>
                     <atom elementType="Cu"
                           id="a17"
                           x3="5.1870"
                           xFract="0.16843382"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a18"
                           x3="6.47529"
                           xFract="0.16843391"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a19"
                           x3="7.77327"
                           xFract="0.4184344"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a20"
                           x3="9.06156"
                           xFract="0.41843449"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="6.34936"
                           xFract="0.24343314"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="7.63765"
                           xFract="0.24343323"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="8.93563"
                           xFract="0.49343372"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="10.22391"
                           xFract="0.49343285"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="3.62904"
                           xFract="0.06885411"
                           y3="5.07725"
                           yFract="0.5660105"
                           z3="5.73612"
                           zFract="0.2515045"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.21707"
                           xFract="0.31782035"
                           y3="5.09894"
                           yFract="0.56842849"
                           z3="5.84978"
                           zFract="0.24935951"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.94497"
                           xFract="0.07016717"
                           y3="7.34428"
                           yFract="0.81873841"
                           z3="5.90472"
                           zFract="0.2518706"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.47344"
                           xFract="0.31454777"
                           y3="7.34487"
                           yFract="0.81880418"
                           z3="6.05814"
                           zFract="0.25180738"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.79506"
                           xFract="0.14421722"
                           y3="5.74984"
                           yFract="0.64099065"
                           z3="7.87019"
                           zFract="0.34763717"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="7.37776"
                           xFract="0.39387492"
                           y3="5.7498"
                           yFract="0.64098619"
                           z3="8.02829"
                           zFract="0.34763917"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.07911"
                           xFract="0.14247471"
                           y3="8.0164"
                           yFract="0.89366617"
                           z3="8.0991"
                           zFract="0.35093963"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.67109"
                           xFract="0.39384299"
                           y3="8.00171"
                           yFract="0.89202853"
                           z3="8.16119"
                           zFract="0.34641249"/>
                     <atom elementType="Cu"
                           id="a33"
                           x3="7.78295"
                           xFract="0.66843382"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a34"
                           x3="9.07124"
                           xFract="0.66843391"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a35"
                           x3="10.36922"
                           xFract="0.9184344"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a36"
                           x3="11.65751"
                           xFract="0.91843449"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a37"
                           x3="8.94531"
                           xFract="0.74343314"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a38"
                           x3="10.2336"
                           xFract="0.74343323"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a39"
                           x3="11.53158"
                           xFract="0.99343372"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a40"
                           x3="12.81986"
                           xFract="0.99343285"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a41"
                           x3="6.2246"
                           xFract="0.57042126"
                           y3="0.56323"
                           yFract="0.06278873"
                           z3="5.73602"
                           zFract="0.25154918"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="8.80762"
                           xFract="0.81830014"
                           y3="0.59578"
                           yFract="0.0664174"
                           z3="5.85537"
                           zFract="0.24966879"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="7.53319"
                           xFract="0.57030401"
                           y3="2.84324"
                           yFract="0.31696365"
                           z3="5.85454"
                           zFract="0.24955353"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.08847"
                           xFract="0.81668478"
                           y3="2.85448"
                           yFract="0.31821668"
                           z3="6.04926"
                           zFract="0.25134243"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.37967"
                           xFract="0.64353419"
                           y3="1.25728"
                           yFract="0.14016124"
                           z3="7.85701"
                           zFract="0.34706088"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="9.97328"
                           xFract="0.89469687"
                           y3="1.24913"
                           yFract="0.13925268"
                           z3="7.99246"
                           zFract="0.34597701"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="8.62263"
                           xFract="0.63865326"
                           y3="3.50883"
                           yFract="0.39116345"
                           z3="8.1448"
                           zFract="0.35328315"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.26393"
                           xFract="0.89374117"
                           y3="3.51301"
                           yFract="0.39162943"
                           z3="8.20646"
                           zFract="0.34856191"/>
                     <atom elementType="Cu"
                           id="a49"
                           x3="10.35953"
                           xFract="0.66843401"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.90692"
                           zFract="0.05000395"/>
                     <atom elementType="Cu"
                           id="a50"
                           x3="11.64782"
                           xFract="0.66843411"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.0652"
                           zFract="0.05000409"/>
                     <atom elementType="Cu"
                           id="a51"
                           x3="12.9458"
                           xFract="0.91843459"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="2.0652"
                           zFract="0.05000408"/>
                     <atom elementType="Cu"
                           id="a52"
                           x3="14.23408"
                           xFract="0.91843372"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.22348"
                           zFract="0.05000424"/>
                     <atom elementType="Cu"
                           id="a53"
                           x3="11.52189"
                           xFract="0.74343333"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.1228"
                           zFract="0.15000418"/>
                     <atom elementType="Cu"
                           id="a54"
                           x3="12.81018"
                           xFract="0.74343343"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.28107"
                           zFract="0.15000385"/>
                     <atom elementType="Cu"
                           id="a55"
                           x3="14.10815"
                           xFract="0.99343294"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.28107"
                           zFract="0.15000386"/>
                     <atom elementType="Cu"
                           id="a56"
                           x3="15.39644"
                           xFract="0.99343304"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.43935"
                           zFract="0.150004"/>
                     <atom elementType="Cu"
                           id="a57"
                           x3="8.79999"
                           xFract="0.56869769"
                           y3="5.07732"
                           yFract="0.5660183"
                           z3="6.05248"
                           zFract="0.25149979"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="11.38832"
                           xFract="0.81851423"
                           y3="5.08422"
                           yFract="0.56678751"
                           z3="6.18121"
                           zFract="0.25008918"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="10.1201"
                           xFract="0.57000443"
                           y3="7.35174"
                           yFract="0.81957004"
                           z3="6.21117"
                           zFract="0.25137424"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.64466"
                           xFract="0.81399541"
                           y3="7.35254"
                           yFract="0.81965923"
                           z3="6.36428"
                           zFract="0.25130733"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.95147"
                           xFract="0.64217494"
                           y3="5.75856"
                           yFract="0.64196276"
                           z3="8.16218"
                           zFract="0.34651093"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="12.56893"
                           xFract="0.89520382"
                           y3="5.75832"
                           yFract="0.641936"
                           z3="8.32116"
                           zFract="0.34645446"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="11.25162"
                           xFract="0.64202094"
                           y3="8.02454"
                           yFract="0.89457361"
                           z3="8.4176"
                           zFract="0.35101784"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.84437"
                           xFract="0.89392124"
                           y3="8.00161"
                           yFract="0.89201738"
                           z3="8.47774"
                           zFract="0.3464103"/>
                     <atom elementType="Br"
                           id="a65"
                           x3="3.49608"
                           xFract="0.15587652"
                           y3="3.27871"
                           yFract="0.36550973"
                           z3="10.20594"
                           zFract="0.4656421"/>
                     <atom elementType="Br"
                           id="a66"
                           x3="5.92748"
                           xFract="0.14722559"
                           y3="7.6669"
                           yFract="0.854704"
                           z3="10.4058"
                           zFract="0.46072082"/>
                     <atom elementType="Br"
                           id="a67"
                           x3="8.37048"
                           xFract="0.62732855"
                           y3="3.27384"
                           yFract="0.36496682"
                           z3="10.50117"
                           zFract="0.46550507"/>
                     <atom elementType="Br"
                           id="a68"
                           x3="11.09295"
                           xFract="0.88953304"
                           y3="3.29116"
                           yFract="0.36689765"
                           z3="10.9246"
                           zFract="0.47758498"/>
                     <atom elementType="Br"
                           id="a69"
                           x3="11.0982"
                           xFract="0.6461551"
                           y3="7.68303"
                           yFract="0.85650217"
                           z3="10.72072"
                           zFract="0.46062206"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a3 a33" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a4 a19" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a17" order="S"/>
                     <bond atomRefs2="a4 a33" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a34" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a26" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a33" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a41" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a37" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a21" order="S"/>
                     <bond atomRefs2="a8 a26" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a34" order="S"/>
                     <bond atomRefs2="a8 a38" order="S"/>
                     <bond atomRefs2="a8 a37" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a23" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a25" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a26" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a15 a29" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a43" order="S"/>
                     <bond atomRefs2="a16 a30" order="S"/>
                     <bond atomRefs2="a16 a26" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a47" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a23" order="S"/>
                     <bond atomRefs2="a19 a34" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a26" order="S"/>
                     <bond atomRefs2="a21 a27" order="S"/>
                     <bond atomRefs2="a21 a23" order="S"/>
                     <bond atomRefs2="a22 a28" order="S"/>
                     <bond atomRefs2="a22 a24" order="S"/>
                     <bond atomRefs2="a22 a23" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a24" order="S"/>
                     <bond atomRefs2="a23 a59" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a57" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a30 a61" order="S"/>
                     <bond atomRefs2="a30 a47" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a66" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a61" order="S"/>
                     <bond atomRefs2="a33 a35" order="S"/>
                     <bond atomRefs2="a33 a34" order="S"/>
                     <bond atomRefs2="a33 a37" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a35" order="S"/>
                     <bond atomRefs2="a34 a38" order="S"/>
                     <bond atomRefs2="a34 a37" order="S"/>
                     <bond atomRefs2="a34 a36" order="S"/>
                     <bond atomRefs2="a35 a36" order="S"/>
                     <bond atomRefs2="a35 a39" order="S"/>
                     <bond atomRefs2="a35 a37" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a40" order="S"/>
                     <bond atomRefs2="a36 a39" order="S"/>
                     <bond atomRefs2="a36 a38" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a44" order="S"/>
                     <bond atomRefs2="a38 a40" order="S"/>
                     <bond atomRefs2="a38 a39" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a57" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a58" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a67" order="S"/>
                     <bond atomRefs2="a47 a57" order="S"/>
                     <bond atomRefs2="a47 a61" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a48 a58" order="S"/>
                     <bond atomRefs2="a48 a62" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                     <bond atomRefs2="a63 a69" order="S"/>
                  </bondArray>
                  <formula concise="Br5Cu64">
                     <atomArray count="5 64" elementType="Br Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4466.463999999996</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.12">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">10.364410710831562</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">10.364412581405663</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.16843459"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.16843372"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.4184342"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.4184343"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.24343294"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.24343304"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.49343352"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.49343362"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.05396"
                           xFract="0.07026613"
                           y3="0.56931"
                           yFract="0.06346653"
                           z3="5.39394"
                           zFract="0.25033004"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="3.64424"
                           xFract="0.31919054"
                           y3="0.59567"
                           yFract="0.06640514"
                           z3="5.53299"
                           zFract="0.24936788"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="2.34918"
                           xFract="0.06859548"
                           y3="2.85402"
                           yFract="0.3181654"
                           z3="5.56532"
                           zFract="0.25085744"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.91547"
                           xFract="0.31718503"
                           y3="2.84465"
                           yFract="0.31712084"
                           z3="5.69176"
                           zFract="0.24942963"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.22384"
                           xFract="0.14555312"
                           y3="1.24999"
                           yFract="0.13934856"
                           z3="7.51493"
                           zFract="0.34582133"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="4.81289"
                           xFract="0.39525101"
                           y3="1.26028"
                           yFract="0.14049568"
                           z3="7.69349"
                           zFract="0.34675244"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="3.54175"
                           xFract="0.14773727"
                           y3="3.50478"
                           yFract="0.39071195"
                           z3="7.82239"
                           zFract="0.35274935"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.09383"
                           xFract="0.39404917"
                           y3="3.51169"
                           yFract="0.39148228"
                           z3="7.83606"
                           zFract="0.34601829"/>
                     <atom elementType="Cu"
                           id="a17"
                           x3="5.1870"
                           xFract="0.16843382"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a18"
                           x3="6.47529"
                           xFract="0.16843391"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a19"
                           x3="7.77327"
                           xFract="0.4184344"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a20"
                           x3="9.06156"
                           xFract="0.41843449"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="6.34936"
                           xFract="0.24343314"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="7.63765"
                           xFract="0.24343323"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="8.93563"
                           xFract="0.49343372"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="10.22391"
                           xFract="0.49343285"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="3.62964"
                           xFract="0.06892766"
                           y3="5.07697"
                           yFract="0.56597928"
                           z3="5.71916"
                           zFract="0.25070358"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.21785"
                           xFract="0.31812342"
                           y3="5.09484"
                           yFract="0.56797143"
                           z3="5.84405"
                           zFract="0.24909394"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.93937"
                           xFract="0.06973968"
                           y3="7.34223"
                           yFract="0.81850987"
                           z3="5.8883"
                           zFract="0.25111599"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.48193"
                           xFract="0.31549507"
                           y3="7.34259"
                           yFract="0.81855001"
                           z3="6.04313"
                           zFract="0.25107897"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.79628"
                           xFract="0.14428406"
                           y3="5.75076"
                           yFract="0.64109321"
                           z3="7.86223"
                           zFract="0.3472568"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="7.37766"
                           xFract="0.39381695"
                           y3="5.75067"
                           yFract="0.64108318"
                           z3="8.02005"
                           zFract="0.34724949"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.07689"
                           xFract="0.14283819"
                           y3="8.00599"
                           yFract="0.89250566"
                           z3="8.12673"
                           zFract="0.35226617"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.6697"
                           xFract="0.39380525"
                           y3="7.99997"
                           yFract="0.89183456"
                           z3="8.17709"
                           zFract="0.34716909"/>
                     <atom elementType="Cu"
                           id="a33"
                           x3="7.78295"
                           xFract="0.66843382"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a34"
                           x3="9.07124"
                           xFract="0.66843391"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a35"
                           x3="10.36922"
                           xFract="0.9184344"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a36"
                           x3="11.65751"
                           xFract="0.91843449"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a37"
                           x3="8.94531"
                           xFract="0.74343314"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a38"
                           x3="10.2336"
                           xFract="0.74343323"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a39"
                           x3="11.53158"
                           xFract="0.99343372"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a40"
                           x3="12.81986"
                           xFract="0.99343285"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a41"
                           x3="6.22611"
                           xFract="0.57018906"
                           y3="0.57004"
                           yFract="0.06354791"
                           z3="5.71675"
                           zFract="0.25062488"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="8.8099"
                           xFract="0.81852609"
                           y3="0.59568"
                           yFract="0.06640625"
                           z3="5.84912"
                           zFract="0.24936769"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="7.52938"
                           xFract="0.56984631"
                           y3="2.84485"
                           yFract="0.31714313"
                           z3="5.85224"
                           zFract="0.24945339"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.09268"
                           xFract="0.81713283"
                           y3="2.85374"
                           yFract="0.31813419"
                           z3="6.03893"
                           zFract="0.25084447"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.38238"
                           xFract="0.64366621"
                           y3="1.25962"
                           yFract="0.14042211"
                           z3="7.85053"
                           zFract="0.34674362"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="9.97408"
                           xFract="0.89468979"
                           y3="1.25065"
                           yFract="0.13942213"
                           z3="7.98956"
                           zFract="0.34583543"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="8.62998"
                           xFract="0.63949646"
                           y3="3.50644"
                           yFract="0.39089701"
                           z3="8.13275"
                           zFract="0.35269778"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.26329"
                           xFract="0.89371873"
                           y3="3.5123"
                           yFract="0.39155028"
                           z3="8.20946"
                           zFract="0.34870639"/>
                     <atom elementType="Cu"
                           id="a49"
                           x3="10.35953"
                           xFract="0.66843401"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.90692"
                           zFract="0.05000395"/>
                     <atom elementType="Cu"
                           id="a50"
                           x3="11.64782"
                           xFract="0.66843411"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.0652"
                           zFract="0.05000409"/>
                     <atom elementType="Cu"
                           id="a51"
                           x3="12.9458"
                           xFract="0.91843459"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="2.0652"
                           zFract="0.05000408"/>
                     <atom elementType="Cu"
                           id="a52"
                           x3="14.23408"
                           xFract="0.91843372"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.22348"
                           zFract="0.05000424"/>
                     <atom elementType="Cu"
                           id="a53"
                           x3="11.52189"
                           xFract="0.74343333"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.1228"
                           zFract="0.15000418"/>
                     <atom elementType="Cu"
                           id="a54"
                           x3="12.81018"
                           xFract="0.74343343"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.28107"
                           zFract="0.15000385"/>
                     <atom elementType="Cu"
                           id="a55"
                           x3="14.10815"
                           xFract="0.99343294"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.28107"
                           zFract="0.15000386"/>
                     <atom elementType="Cu"
                           id="a56"
                           x3="15.39644"
                           xFract="0.99343304"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.43935"
                           zFract="0.150004"/>
                     <atom elementType="Cu"
                           id="a57"
                           x3="8.80237"
                           xFract="0.56894552"
                           y3="5.0770"
                           yFract="0.56598263"
                           z3="6.03569"
                           zFract="0.25070182"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="11.38942"
                           xFract="0.81869664"
                           y3="5.08285"
                           yFract="0.56663478"
                           z3="6.1720"
                           zFract="0.24965404"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="10.11378"
                           xFract="0.56962729"
                           y3="7.34753"
                           yFract="0.81910072"
                           z3="6.19783"
                           zFract="0.25077053"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.65347"
                           xFract="0.81509747"
                           y3="7.34803"
                           yFract="0.81915646"
                           z3="6.35243"
                           zFract="0.25073071"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.95556"
                           xFract="0.64246479"
                           y3="5.76046"
                           yFract="0.64217457"
                           z3="8.15792"
                           zFract="0.3462951"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="12.56565"
                           xFract="0.89478181"
                           y3="5.76021"
                           yFract="0.6421467"
                           z3="8.31659"
                           zFract="0.34624529"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="11.24942"
                           xFract="0.64252685"
                           y3="8.0116"
                           yFract="0.89313106"
                           z3="8.44439"
                           zFract="0.35230894"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.84284"
                           xFract="0.8938683"
                           y3="7.9999"
                           yFract="0.89182675"
                           z3="8.49364"
                           zFract="0.34716725"/>
                     <atom elementType="Br"
                           id="a65"
                           x3="3.46111"
                           xFract="0.15348906"
                           y3="3.26083"
                           yFract="0.36351647"
                           z3="10.24063"
                           zFract="0.46740849"/>
                     <atom elementType="Br"
                           id="a66"
                           x3="5.92556"
                           xFract="0.14672791"
                           y3="7.67252"
                           yFract="0.85533052"
                           z3="10.4335"
                           zFract="0.46202302"/>
                     <atom elementType="Br"
                           id="a67"
                           x3="8.39961"
                           xFract="0.63105621"
                           y3="3.25742"
                           yFract="0.36313633"
                           z3="10.54038"
                           zFract="0.46729717"/>
                     <atom elementType="Br"
                           id="a68"
                           x3="11.09254"
                           xFract="0.88774862"
                           y3="3.32258"
                           yFract="0.37040035"
                           z3="10.91235"
                           zFract="0.4769561"/>
                     <atom elementType="Br"
                           id="a69"
                           x3="11.09679"
                           xFract="0.64589442"
                           y3="7.68527"
                           yFract="0.85675188"
                           z3="10.74917"
                           zFract="0.46196379"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a3 a33" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a4 a19" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a17" order="S"/>
                     <bond atomRefs2="a4 a33" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a34" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a26" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a33" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a41" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a37" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a21" order="S"/>
                     <bond atomRefs2="a8 a26" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a34" order="S"/>
                     <bond atomRefs2="a8 a38" order="S"/>
                     <bond atomRefs2="a8 a37" order="S"/>
                     <bond atomRefs2="a8 a23" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a25" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a26" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a15 a29" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a43" order="S"/>
                     <bond atomRefs2="a16 a30" order="S"/>
                     <bond atomRefs2="a16 a26" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a47" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a23" order="S"/>
                     <bond atomRefs2="a19 a34" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a26" order="S"/>
                     <bond atomRefs2="a21 a27" order="S"/>
                     <bond atomRefs2="a21 a23" order="S"/>
                     <bond atomRefs2="a22 a28" order="S"/>
                     <bond atomRefs2="a22 a24" order="S"/>
                     <bond atomRefs2="a22 a23" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a24" order="S"/>
                     <bond atomRefs2="a23 a59" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a57" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a30 a47" order="S"/>
                     <bond atomRefs2="a30 a61" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a66" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a61" order="S"/>
                     <bond atomRefs2="a33 a35" order="S"/>
                     <bond atomRefs2="a33 a34" order="S"/>
                     <bond atomRefs2="a33 a37" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a35" order="S"/>
                     <bond atomRefs2="a34 a38" order="S"/>
                     <bond atomRefs2="a34 a37" order="S"/>
                     <bond atomRefs2="a34 a36" order="S"/>
                     <bond atomRefs2="a35 a36" order="S"/>
                     <bond atomRefs2="a35 a39" order="S"/>
                     <bond atomRefs2="a35 a37" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a40" order="S"/>
                     <bond atomRefs2="a36 a39" order="S"/>
                     <bond atomRefs2="a36 a38" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a40" order="S"/>
                     <bond atomRefs2="a38 a39" order="S"/>
                     <bond atomRefs2="a38 a44" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a43 a57" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a58" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a67" order="S"/>
                     <bond atomRefs2="a47 a57" order="S"/>
                     <bond atomRefs2="a47 a61" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a48 a58" order="S"/>
                     <bond atomRefs2="a48 a62" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                     <bond atomRefs2="a63 a69" order="S"/>
                  </bondArray>
                  <formula concise="Br5Cu64">
                     <atomArray count="5 64" elementType="Br Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4466.463999999996</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.13">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">10.364410710831562</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">10.364412581405663</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.16843459"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.16843372"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.4184342"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.4184343"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.24343294"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.24343304"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.49343352"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.49343362"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.05388"
                           xFract="0.07002739"
                           y3="0.57347"
                           yFract="0.06393029"
                           z3="5.3928"
                           zFract="0.25026957"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="3.64439"
                           xFract="0.31912285"
                           y3="0.59715"
                           yFract="0.06657013"
                           z3="5.53119"
                           zFract="0.24928011"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="2.34903"
                           xFract="0.06854544"
                           y3="2.85466"
                           yFract="0.31823675"
                           z3="5.56726"
                           zFract="0.25094828"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.91496"
                           xFract="0.31717127"
                           y3="2.84401"
                           yFract="0.31704949"
                           z3="5.69092"
                           zFract="0.24939256"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.22533"
                           xFract="0.14550057"
                           y3="1.25353"
                           yFract="0.1397432"
                           z3="7.51993"
                           zFract="0.34604687"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="4.81066"
                           xFract="0.39487829"
                           y3="1.26311"
                           yFract="0.14081117"
                           z3="7.69866"
                           zFract="0.34699792"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="3.5431"
                           xFract="0.14784722"
                           y3="3.50515"
                           yFract="0.3907532"
                           z3="7.82101"
                           zFract="0.35267977"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.09401"
                           xFract="0.39409933"
                           y3="3.5111"
                           yFract="0.39141651"
                           z3="7.83461"
                           zFract="0.34595039"/>
                     <atom elementType="Cu"
                           id="a17"
                           x3="5.1870"
                           xFract="0.16843382"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a18"
                           x3="6.47529"
                           xFract="0.16843391"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a19"
                           x3="7.77327"
                           xFract="0.4184344"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a20"
                           x3="9.06156"
                           xFract="0.41843449"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="6.34936"
                           xFract="0.24343314"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="7.63765"
                           xFract="0.24343323"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="8.93563"
                           xFract="0.49343372"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="10.22391"
                           xFract="0.49343285"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="3.63029"
                           xFract="0.06893718"
                           y3="5.07793"
                           yFract="0.5660863"
                           z3="5.72216"
                           zFract="0.25084155"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.2176"
                           xFract="0.31809759"
                           y3="5.09487"
                           yFract="0.56797477"
                           z3="5.84383"
                           zFract="0.24908424"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.93633"
                           xFract="0.0695741"
                           y3="7.33992"
                           yFract="0.81825235"
                           z3="5.88526"
                           zFract="0.25098528"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.48545"
                           xFract="0.31598193"
                           y3="7.33995"
                           yFract="0.8182557"
                           z3="6.04063"
                           zFract="0.25095535"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.79803"
                           xFract="0.14437881"
                           y3="5.7521"
                           yFract="0.6412426"
                           z3="7.86963"
                           zFract="0.34759842"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="7.37516"
                           xFract="0.39348699"
                           y3="5.75226"
                           yFract="0.64126043"
                           z3="8.02704"
                           zFract="0.34758363"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.0781"
                           xFract="0.14277523"
                           y3="8.00923"
                           yFract="0.89286686"
                           z3="8.10972"
                           zFract="0.35145525"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.67014"
                           xFract="0.39383779"
                           y3="8.00015"
                           yFract="0.89185462"
                           z3="8.17502"
                           zFract="0.34706992"/>
                     <atom elementType="Cu"
                           id="a33"
                           x3="7.78295"
                           xFract="0.66843382"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a34"
                           x3="9.07124"
                           xFract="0.66843391"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a35"
                           x3="10.36922"
                           xFract="0.9184344"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a36"
                           x3="11.65751"
                           xFract="0.91843449"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a37"
                           x3="8.94531"
                           xFract="0.74343314"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a38"
                           x3="10.2336"
                           xFract="0.74343323"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a39"
                           x3="11.53158"
                           xFract="0.99343372"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a40"
                           x3="12.81986"
                           xFract="0.99343285"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a41"
                           x3="6.22595"
                           xFract="0.56989205"
                           y3="0.57511"
                           yFract="0.06411311"
                           z3="5.71679"
                           zFract="0.25061876"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="8.8097"
                           xFract="0.8184168"
                           y3="0.5973"
                           yFract="0.06658685"
                           z3="5.84719"
                           zFract="0.24927456"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="7.52963"
                           xFract="0.56990601"
                           y3="2.84421"
                           yFract="0.31707178"
                           z3="5.85152"
                           zFract="0.24941979"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.09227"
                           xFract="0.81706988"
                           y3="2.85416"
                           yFract="0.31818101"
                           z3="6.04085"
                           zFract="0.25093548"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.38422"
                           xFract="0.64367026"
                           y3="1.26275"
                           yFract="0.14077104"
                           z3="7.85588"
                           zFract="0.34698534"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="9.97218"
                           xFract="0.89429955"
                           y3="1.25437"
                           yFract="0.13983684"
                           z3="7.99443"
                           zFract="0.34606432"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="8.6297"
                           xFract="0.63943275"
                           y3="3.5071"
                           yFract="0.39097059"
                           z3="8.13106"
                           zFract="0.3526178"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.26296"
                           xFract="0.8937357"
                           y3="3.51142"
                           yFract="0.39145218"
                           z3="8.21786"
                           zFract="0.34910487"/>
                     <atom elementType="Cu"
                           id="a49"
                           x3="10.35953"
                           xFract="0.66843401"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.90692"
                           zFract="0.05000395"/>
                     <atom elementType="Cu"
                           id="a50"
                           x3="11.64782"
                           xFract="0.66843411"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.0652"
                           zFract="0.05000409"/>
                     <atom elementType="Cu"
                           id="a51"
                           x3="12.9458"
                           xFract="0.91843459"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="2.0652"
                           zFract="0.05000408"/>
                     <atom elementType="Cu"
                           id="a52"
                           x3="14.23408"
                           xFract="0.91843372"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.22348"
                           zFract="0.05000424"/>
                     <atom elementType="Cu"
                           id="a53"
                           x3="11.52189"
                           xFract="0.74343333"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.1228"
                           zFract="0.15000418"/>
                     <atom elementType="Cu"
                           id="a54"
                           x3="12.81018"
                           xFract="0.74343343"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.28107"
                           zFract="0.15000385"/>
                     <atom elementType="Cu"
                           id="a55"
                           x3="14.10815"
                           xFract="0.99343294"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.28107"
                           zFract="0.15000386"/>
                     <atom elementType="Cu"
                           id="a56"
                           x3="15.39644"
                           xFract="0.99343304"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.43935"
                           zFract="0.150004"/>
                     <atom elementType="Cu"
                           id="a57"
                           x3="8.80103"
                           xFract="0.56876268"
                           y3="5.07796"
                           yFract="0.56608965"
                           z3="6.03853"
                           zFract="0.25083799"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="11.38916"
                           xFract="0.81868428"
                           y3="5.08262"
                           yFract="0.56660914"
                           z3="6.17297"
                           zFract="0.24970091"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="10.11115"
                           xFract="0.56950634"
                           y3="7.34513"
                           yFract="0.81883316"
                           z3="6.19407"
                           zFract="0.25060484"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.65669"
                           xFract="0.81555589"
                           y3="7.34538"
                           yFract="0.81886103"
                           z3="6.34908"
                           zFract="0.2505679"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.95683"
                           xFract="0.64260755"
                           y3="5.7601"
                           yFract="0.64213444"
                           z3="8.16462"
                           zFract="0.34660793"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="12.56372"
                           xFract="0.89462245"
                           y3="5.75972"
                           yFract="0.64209207"
                           z3="8.32298"
                           zFract="0.34655297"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="11.25069"
                           xFract="0.64251301"
                           y3="8.01406"
                           yFract="0.8934053"
                           z3="8.42663"
                           zFract="0.35146379"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.84246"
                           xFract="0.89382324"
                           y3="8.00005"
                           yFract="0.89184347"
                           z3="8.49152"
                           zFract="0.34706814"/>
                     <atom elementType="Br"
                           id="a65"
                           x3="3.49432"
                           xFract="0.15620562"
                           y3="3.26972"
                           yFract="0.36450753"
                           z3="10.22247"
                           zFract="0.46644158"/>
                     <atom elementType="Br"
                           id="a66"
                           x3="5.92641"
                           xFract="0.14719824"
                           y3="7.66553"
                           yFract="0.85455127"
                           z3="10.42283"
                           zFract="0.46152916"/>
                     <atom elementType="Br"
                           id="a67"
                           x3="8.36961"
                           xFract="0.62776978"
                           y3="3.26438"
                           yFract="0.36391223"
                           z3="10.51749"
                           zFract="0.46629286"/>
                     <atom elementType="Br"
                           id="a68"
                           x3="11.09211"
                           xFract="0.8885528"
                           y3="3.30735"
                           yFract="0.36870251"
                           z3="10.91472"
                           zFract="0.47709452"/>
                     <atom elementType="Br"
                           id="a69"
                           x3="11.09697"
                           xFract="0.64610173"
                           y3="7.68185"
                           yFract="0.85637062"
                           z3="10.73884"
                           zFract="0.46148193"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a3 a33" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a4 a19" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a17" order="S"/>
                     <bond atomRefs2="a4 a33" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a34" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a26" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a33" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a41" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a37" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a21" order="S"/>
                     <bond atomRefs2="a8 a26" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a34" order="S"/>
                     <bond atomRefs2="a8 a38" order="S"/>
                     <bond atomRefs2="a8 a37" order="S"/>
                     <bond atomRefs2="a8 a23" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a25" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a26" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a15 a29" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a43" order="S"/>
                     <bond atomRefs2="a16 a30" order="S"/>
                     <bond atomRefs2="a16 a26" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a47" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a23" order="S"/>
                     <bond atomRefs2="a19 a34" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a26" order="S"/>
                     <bond atomRefs2="a21 a27" order="S"/>
                     <bond atomRefs2="a21 a23" order="S"/>
                     <bond atomRefs2="a22 a28" order="S"/>
                     <bond atomRefs2="a22 a24" order="S"/>
                     <bond atomRefs2="a22 a23" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a24" order="S"/>
                     <bond atomRefs2="a23 a59" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a57" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a30 a47" order="S"/>
                     <bond atomRefs2="a30 a61" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a66" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a61" order="S"/>
                     <bond atomRefs2="a33 a35" order="S"/>
                     <bond atomRefs2="a33 a34" order="S"/>
                     <bond atomRefs2="a33 a37" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a35" order="S"/>
                     <bond atomRefs2="a34 a38" order="S"/>
                     <bond atomRefs2="a34 a37" order="S"/>
                     <bond atomRefs2="a34 a36" order="S"/>
                     <bond atomRefs2="a35 a36" order="S"/>
                     <bond atomRefs2="a35 a39" order="S"/>
                     <bond atomRefs2="a35 a37" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a40" order="S"/>
                     <bond atomRefs2="a36 a39" order="S"/>
                     <bond atomRefs2="a36 a38" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a40" order="S"/>
                     <bond atomRefs2="a38 a39" order="S"/>
                     <bond atomRefs2="a38 a44" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a43 a57" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a58" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a67" order="S"/>
                     <bond atomRefs2="a47 a57" order="S"/>
                     <bond atomRefs2="a47 a61" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a48 a58" order="S"/>
                     <bond atomRefs2="a48 a62" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                     <bond atomRefs2="a63 a69" order="S"/>
                  </bondArray>
                  <formula concise="Br5Cu64">
                     <atomArray count="5 64" elementType="Br Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4466.463999999996</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.14">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">10.364410710831562</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">10.364412581405663</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.16843459"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.16843372"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.4184342"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.4184343"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.24343294"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.24343304"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.49343352"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.49343362"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.05363"
                           xFract="0.06930964"
                           y3="0.58596"
                           yFract="0.06532267"
                           z3="5.38936"
                           zFract="0.25008724"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="3.64483"
                           xFract="0.31891882"
                           y3="0.60159"
                           yFract="0.0670651"
                           z3="5.52579"
                           zFract="0.24901681"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="2.34857"
                           xFract="0.06839435"
                           y3="2.85658"
                           yFract="0.31845079"
                           z3="5.57306"
                           zFract="0.25121987"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.91343"
                           xFract="0.31712944"
                           y3="2.8421"
                           yFract="0.31683656"
                           z3="5.68839"
                           zFract="0.24928088"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.22981"
                           xFract="0.14534222"
                           y3="1.26418"
                           yFract="0.14093045"
                           z3="7.53493"
                           zFract="0.3467234"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="4.80398"
                           xFract="0.39376167"
                           y3="1.27159"
                           yFract="0.14175652"
                           z3="7.71416"
                           zFract="0.34773385"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="3.54715"
                           xFract="0.14817707"
                           y3="3.50626"
                           yFract="0.39087694"
                           z3="7.81686"
                           zFract="0.35247056"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.09456"
                           xFract="0.39425135"
                           y3="3.50932"
                           yFract="0.39121807"
                           z3="7.83027"
                           zFract="0.34574715"/>
                     <atom elementType="Cu"
                           id="a17"
                           x3="5.1870"
                           xFract="0.16843382"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a18"
                           x3="6.47529"
                           xFract="0.16843391"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a19"
                           x3="7.77327"
                           xFract="0.4184344"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a20"
                           x3="9.06156"
                           xFract="0.41843449"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="6.34936"
                           xFract="0.24343314"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="7.63765"
                           xFract="0.24343323"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="8.93563"
                           xFract="0.49343372"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="10.22391"
                           xFract="0.49343285"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="3.63222"
                           xFract="0.06896381"
                           y3="5.08081"
                           yFract="0.56640736"
                           z3="5.73118"
                           zFract="0.25125646"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.21683"
                           xFract="0.31801872"
                           y3="5.09495"
                           yFract="0.56798369"
                           z3="5.84316"
                           zFract="0.24905474"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.92723"
                           xFract="0.06907873"
                           y3="7.3330"
                           yFract="0.81748091"
                           z3="5.87614"
                           zFract="0.25059309"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.49603"
                           xFract="0.31744444"
                           y3="7.33203"
                           yFract="0.81737278"
                           z3="6.03314"
                           zFract="0.2505849"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.80329"
                           xFract="0.14466347"
                           y3="5.75613"
                           yFract="0.64169186"
                           z3="7.89181"
                           zFract="0.34862229"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="7.36764"
                           xFract="0.39249574"
                           y3="5.75702"
                           yFract="0.64179108"
                           z3="8.04801"
                           zFract="0.3485861"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.08172"
                           xFract="0.14258484"
                           y3="8.01896"
                           yFract="0.89395156"
                           z3="8.05868"
                           zFract="0.34902204"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.67147"
                           xFract="0.39393748"
                           y3="8.00067"
                           yFract="0.89191259"
                           z3="8.16882"
                           zFract="0.34677289"/>
                     <atom elementType="Cu"
                           id="a33"
                           x3="7.78295"
                           xFract="0.66843382"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a34"
                           x3="9.07124"
                           xFract="0.66843391"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a35"
                           x3="10.36922"
                           xFract="0.9184344"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a36"
                           x3="11.65751"
                           xFract="0.91843449"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a37"
                           x3="8.94531"
                           xFract="0.74343314"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a38"
                           x3="10.2336"
                           xFract="0.74343323"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a39"
                           x3="11.53158"
                           xFract="0.99343372"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a40"
                           x3="12.81986"
                           xFract="0.99343285"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a41"
                           x3="6.22549"
                           xFract="0.56900406"
                           y3="0.5903"
                           yFract="0.06580649"
                           z3="5.71693"
                           zFract="0.25060132"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="8.80908"
                           xFract="0.81808532"
                           y3="0.60219"
                           yFract="0.06713198"
                           z3="5.84142"
                           zFract="0.24899613"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="7.53037"
                           xFract="0.57008472"
                           y3="2.84228"
                           yFract="0.31685663"
                           z3="5.84935"
                           zFract="0.24931856"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.09104"
                           xFract="0.81688046"
                           y3="2.85543"
                           yFract="0.31832259"
                           z3="6.04659"
                           zFract="0.25120754"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.38972"
                           xFract="0.64368103"
                           y3="1.27213"
                           yFract="0.14181672"
                           z3="7.87191"
                           zFract="0.34770961"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="9.96647"
                           xFract="0.89312621"
                           y3="1.26556"
                           yFract="0.1410843"
                           z3="8.00901"
                           zFract="0.34674955"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="8.62888"
                           xFract="0.63924409"
                           y3="3.50907"
                           yFract="0.3911902"
                           z3="8.12601"
                           zFract="0.35237877"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.26195"
                           xFract="0.89378411"
                           y3="3.50879"
                           yFract="0.39115899"
                           z3="8.24306"
                           zFract="0.35030034"/>
                     <atom elementType="Cu"
                           id="a49"
                           x3="10.35953"
                           xFract="0.66843401"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.90692"
                           zFract="0.05000395"/>
                     <atom elementType="Cu"
                           id="a50"
                           x3="11.64782"
                           xFract="0.66843411"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.0652"
                           zFract="0.05000409"/>
                     <atom elementType="Cu"
                           id="a51"
                           x3="12.9458"
                           xFract="0.91843459"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="2.0652"
                           zFract="0.05000408"/>
                     <atom elementType="Cu"
                           id="a52"
                           x3="14.23408"
                           xFract="0.91843372"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.22348"
                           zFract="0.05000424"/>
                     <atom elementType="Cu"
                           id="a53"
                           x3="11.52189"
                           xFract="0.74343333"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.1228"
                           zFract="0.15000418"/>
                     <atom elementType="Cu"
                           id="a54"
                           x3="12.81018"
                           xFract="0.74343343"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.28107"
                           zFract="0.15000385"/>
                     <atom elementType="Cu"
                           id="a55"
                           x3="14.10815"
                           xFract="0.99343294"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.28107"
                           zFract="0.15000386"/>
                     <atom elementType="Cu"
                           id="a56"
                           x3="15.39644"
                           xFract="0.99343304"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.43935"
                           zFract="0.150004"/>
                     <atom elementType="Cu"
                           id="a57"
                           x3="8.79701"
                           xFract="0.56821416"
                           y3="5.08084"
                           yFract="0.56641071"
                           z3="6.04706"
                           zFract="0.25124696"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="11.38835"
                           xFract="0.81864318"
                           y3="5.08195"
                           yFract="0.56653445"
                           z3="6.17589"
                           zFract="0.24984205"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="10.10326"
                           xFract="0.56914237"
                           y3="7.33795"
                           yFract="0.81803274"
                           z3="6.1828"
                           zFract="0.25010822"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.66633"
                           xFract="0.81692921"
                           y3="7.33743"
                           yFract="0.81797477"
                           z3="6.33903"
                           zFract="0.2500795"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.96064"
                           xFract="0.64303581"
                           y3="5.75902"
                           yFract="0.64201404"
                           z3="8.18473"
                           zFract="0.34754692"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="12.55793"
                           xFract="0.89414329"
                           y3="5.75827"
                           yFract="0.64193043"
                           z3="8.34215"
                           zFract="0.34747595"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="11.2545"
                           xFract="0.64247148"
                           y3="8.02144"
                           yFract="0.89422803"
                           z3="8.37335"
                           zFract="0.34892834"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.84132"
                           xFract="0.89368916"
                           y3="8.00048"
                           yFract="0.89189141"
                           z3="8.48514"
                           zFract="0.3467699"/>
                     <atom elementType="Br"
                           id="a65"
                           x3="3.59396"
                           xFract="0.1643557"
                           y3="3.2964"
                           yFract="0.36748181"
                           z3="10.16798"
                           zFract="0.46354033"/>
                     <atom elementType="Br"
                           id="a66"
                           x3="5.92897"
                           xFract="0.14861129"
                           y3="7.64454"
                           yFract="0.85221131"
                           z3="10.39083"
                           zFract="0.46004804"/>
                     <atom elementType="Br"
                           id="a67"
                           x3="8.27962"
                           xFract="0.617912"
                           y3="3.28525"
                           yFract="0.36623881"
                           z3="10.44881"
                           zFract="0.46327944"/>
                     <atom elementType="Br"
                           id="a68"
                           x3="11.0908"
                           xFract="0.89096227"
                           y3="3.26168"
                           yFract="0.36361123"
                           z3="10.92182"
                           zFract="0.47750934"/>
                     <atom elementType="Br"
                           id="a69"
                           x3="11.09751"
                           xFract="0.64672312"
                           y3="7.6716"
                           yFract="0.85522795"
                           z3="10.70785"
                           zFract="0.46003633"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a3 a33" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a4 a19" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a17" order="S"/>
                     <bond atomRefs2="a4 a33" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a34" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a26" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a33" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a41" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a37" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a21" order="S"/>
                     <bond atomRefs2="a8 a26" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a34" order="S"/>
                     <bond atomRefs2="a8 a38" order="S"/>
                     <bond atomRefs2="a8 a37" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a23" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a25" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a26" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a15 a29" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a43" order="S"/>
                     <bond atomRefs2="a16 a30" order="S"/>
                     <bond atomRefs2="a16 a26" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a47" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a23" order="S"/>
                     <bond atomRefs2="a19 a34" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a26" order="S"/>
                     <bond atomRefs2="a21 a27" order="S"/>
                     <bond atomRefs2="a21 a23" order="S"/>
                     <bond atomRefs2="a22 a28" order="S"/>
                     <bond atomRefs2="a22 a24" order="S"/>
                     <bond atomRefs2="a22 a23" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a24" order="S"/>
                     <bond atomRefs2="a23 a59" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a57" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a30 a61" order="S"/>
                     <bond atomRefs2="a30 a47" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a66" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a61" order="S"/>
                     <bond atomRefs2="a33 a35" order="S"/>
                     <bond atomRefs2="a33 a34" order="S"/>
                     <bond atomRefs2="a33 a37" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a35" order="S"/>
                     <bond atomRefs2="a34 a38" order="S"/>
                     <bond atomRefs2="a34 a37" order="S"/>
                     <bond atomRefs2="a34 a36" order="S"/>
                     <bond atomRefs2="a35 a36" order="S"/>
                     <bond atomRefs2="a35 a39" order="S"/>
                     <bond atomRefs2="a35 a37" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a40" order="S"/>
                     <bond atomRefs2="a36 a39" order="S"/>
                     <bond atomRefs2="a36 a38" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a44" order="S"/>
                     <bond atomRefs2="a38 a40" order="S"/>
                     <bond atomRefs2="a38 a39" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a57" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a58" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a67" order="S"/>
                     <bond atomRefs2="a47 a57" order="S"/>
                     <bond atomRefs2="a47 a61" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a48 a58" order="S"/>
                     <bond atomRefs2="a48 a62" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                     <bond atomRefs2="a63 a69" order="S"/>
                  </bondArray>
                  <formula concise="Br5Cu64">
                     <atomArray count="5 64" elementType="Br Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4466.463999999996</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.15">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">10.364410710831562</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">10.364412581405663</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.16843459"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.16843372"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.4184342"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.4184343"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.24343294"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.24343304"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.49343352"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.49343362"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.05312"
                           xFract="0.06787373"
                           y3="0.61093"
                           yFract="0.06810632"
                           z3="5.38249"
                           zFract="0.24972309"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="3.64572"
                           xFract="0.3185123"
                           y3="0.61046"
                           yFract="0.06805392"
                           z3="5.51497"
                           zFract="0.24848927"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="2.34765"
                           xFract="0.06809218"
                           y3="2.86042"
                           yFract="0.31887887"
                           z3="5.58467"
                           zFract="0.25176351"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.91038"
                           xFract="0.31704785"
                           y3="2.83826"
                           yFract="0.31640848"
                           z3="5.68334"
                           zFract="0.24905799"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.23876"
                           xFract="0.14502511"
                           y3="1.28547"
                           yFract="0.14330386"
                           z3="7.56494"
                           zFract="0.34807698"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="4.79062"
                           xFract="0.39152843"
                           y3="1.28855"
                           yFract="0.14364722"
                           z3="7.74516"
                           zFract="0.34920571"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="3.55526"
                           xFract="0.14883774"
                           y3="3.50848"
                           yFract="0.39112443"
                           z3="7.80856"
                           zFract="0.35205211"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.09566"
                           xFract="0.39455592"
                           y3="3.50575"
                           yFract="0.39082009"
                           z3="7.82159"
                           zFract="0.34534068"/>
                     <atom elementType="Cu"
                           id="a17"
                           x3="5.1870"
                           xFract="0.16843382"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a18"
                           x3="6.47529"
                           xFract="0.16843391"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a19"
                           x3="7.77327"
                           xFract="0.4184344"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a20"
                           x3="9.06156"
                           xFract="0.41843449"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="6.34936"
                           xFract="0.24343314"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="7.63765"
                           xFract="0.24343323"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="8.93563"
                           xFract="0.49343372"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="10.22391"
                           xFract="0.49343285"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="3.63609"
                           xFract="0.06901804"
                           y3="5.08657"
                           yFract="0.56704949"
                           z3="5.74921"
                           zFract="0.25208578"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.21529"
                           xFract="0.31785986"
                           y3="5.09513"
                           yFract="0.56800375"
                           z3="5.84183"
                           zFract="0.24899617"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.90901"
                           xFract="0.06808661"
                           y3="7.31915"
                           yFract="0.81593692"
                           z3="5.85789"
                           zFract="0.24980832"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.51718"
                           xFract="0.32036851"
                           y3="7.31619"
                           yFract="0.81560694"
                           z3="6.01815"
                           zFract="0.24984355"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.81381"
                           xFract="0.1452328"
                           y3="5.76419"
                           yFract="0.64259039"
                           z3="7.93617"
                           zFract="0.35067003"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="7.35262"
                           xFract="0.39051463"
                           y3="5.76655"
                           yFract="0.64285348"
                           z3="8.08996"
                           zFract="0.35059145"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.08897"
                           xFract="0.14220502"
                           y3="8.03842"
                           yFract="0.89612095"
                           z3="7.95659"
                           zFract="0.34415512"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.67411"
                           xFract="0.39413492"
                           y3="8.00171"
                           yFract="0.89202853"
                           z3="8.15643"
                           zFract="0.34617935"/>
                     <atom elementType="Cu"
                           id="a33"
                           x3="7.78295"
                           xFract="0.66843382"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a34"
                           x3="9.07124"
                           xFract="0.66843391"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a35"
                           x3="10.36922"
                           xFract="0.9184344"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a36"
                           x3="11.65751"
                           xFract="0.91843449"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a37"
                           x3="8.94531"
                           xFract="0.74343314"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a38"
                           x3="10.2336"
                           xFract="0.74343323"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a39"
                           x3="11.53158"
                           xFract="0.99343372"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a40"
                           x3="12.81986"
                           xFract="0.99343285"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a41"
                           x3="6.22455"
                           xFract="0.56722505"
                           y3="0.6207"
                           yFract="0.06919547"
                           z3="5.7172"
                           zFract="0.25056599"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="8.80783"
                           xFract="0.81742195"
                           y3="0.61196"
                           yFract="0.06822114"
                           z3="5.82987"
                           zFract="0.24843884"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="7.53186"
                           xFract="0.57044255"
                           y3="2.83843"
                           yFract="0.31642743"
                           z3="5.84503"
                           zFract="0.24911701"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.08857"
                           xFract="0.81650064"
                           y3="2.85797"
                           yFract="0.31860575"
                           z3="6.05807"
                           zFract="0.2517517"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.40072"
                           xFract="0.64370202"
                           y3="1.2909"
                           yFract="0.14390919"
                           z3="7.90397"
                           zFract="0.34915814"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="9.95504"
                           xFract="0.89077965"
                           y3="1.28792"
                           yFract="0.14357698"
                           z3="8.03819"
                           zFract="0.34812101"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="8.62724"
                           xFract="0.63886621"
                           y3="3.51302"
                           yFract="0.39163055"
                           z3="8.1159"
                           zFract="0.35190023"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.25994"
                           xFract="0.89388302"
                           y3="3.50351"
                           yFract="0.39057037"
                           z3="8.29345"
                           zFract="0.35269083"/>
                     <atom elementType="Cu"
                           id="a49"
                           x3="10.35953"
                           xFract="0.66843401"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.90692"
                           zFract="0.05000395"/>
                     <atom elementType="Cu"
                           id="a50"
                           x3="11.64782"
                           xFract="0.66843411"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.0652"
                           zFract="0.05000409"/>
                     <atom elementType="Cu"
                           id="a51"
                           x3="12.9458"
                           xFract="0.91843459"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="2.0652"
                           zFract="0.05000408"/>
                     <atom elementType="Cu"
                           id="a52"
                           x3="14.23408"
                           xFract="0.91843372"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.22348"
                           zFract="0.05000424"/>
                     <atom elementType="Cu"
                           id="a53"
                           x3="11.52189"
                           xFract="0.74343333"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.1228"
                           zFract="0.15000418"/>
                     <atom elementType="Cu"
                           id="a54"
                           x3="12.81018"
                           xFract="0.74343343"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.28107"
                           zFract="0.15000385"/>
                     <atom elementType="Cu"
                           id="a55"
                           x3="14.10815"
                           xFract="0.99343294"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.28107"
                           zFract="0.15000386"/>
                     <atom elementType="Cu"
                           id="a56"
                           x3="15.39644"
                           xFract="0.99343304"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.43935"
                           zFract="0.150004"/>
                     <atom elementType="Cu"
                           id="a57"
                           x3="8.78896"
                           xFract="0.56711615"
                           y3="5.0866"
                           yFract="0.56705283"
                           z3="6.06411"
                           zFract="0.25206447"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="11.38674"
                           xFract="0.81856308"
                           y3="5.08059"
                           yFract="0.56638284"
                           z3="6.18174"
                           zFract="0.25012479"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="10.08748"
                           xFract="0.56841554"
                           y3="7.32357"
                           yFract="0.81642966"
                           z3="6.16026"
                           zFract="0.24911502"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.68561"
                           xFract="0.8196764"
                           y3="7.32152"
                           yFract="0.81620113"
                           z3="6.31893"
                           zFract="0.24910274"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.96827"
                           xFract="0.64389331"
                           y3="5.75686"
                           yFract="0.64177324"
                           z3="8.22496"
                           zFract="0.34942534"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="12.54634"
                           xFract="0.89318509"
                           y3="5.75535"
                           yFract="0.64160491"
                           z3="8.3805"
                           zFract="0.34932246"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="11.26212"
                           xFract="0.64238843"
                           y3="8.0362"
                           yFract="0.89587347"
                           z3="8.26679"
                           zFract="0.34385744"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.83904"
                           xFract="0.89342046"
                           y3="8.00135"
                           yFract="0.8919884"
                           z3="8.47238"
                           zFract="0.34617339"/>
                     <atom elementType="Br"
                           id="a65"
                           x3="3.79323"
                           xFract="0.18065601"
                           y3="3.34974"
                           yFract="0.37342814"
                           z3="10.05901"
                           zFract="0.45773836"/>
                     <atom elementType="Br"
                           id="a66"
                           x3="5.93409"
                           xFract="0.15143686"
                           y3="7.60257"
                           yFract="0.84753251"
                           z3="10.32681"
                           zFract="0.45708484"/>
                     <atom elementType="Br"
                           id="a67"
                           x3="8.09965"
                           xFract="0.59819742"
                           y3="3.32699"
                           yFract="0.37089197"
                           z3="10.31145"
                           zFract="0.45725257"/>
                     <atom elementType="Br"
                           id="a68"
                           x3="11.08817"
                           xFract="0.89578137"
                           y3="3.17032"
                           yFract="0.35342644"
                           z3="10.93603"
                           zFract="0.4783395"/>
                     <atom elementType="Br"
                           id="a69"
                           x3="11.0986"
                           xFract="0.64796632"
                           y3="7.65111"
                           yFract="0.85294373"
                           z3="10.64588"
                           zFract="0.45714554"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a3 a33" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a4 a19" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a17" order="S"/>
                     <bond atomRefs2="a4 a33" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a34" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a26" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a33" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a41" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a37" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a21" order="S"/>
                     <bond atomRefs2="a8 a26" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a34" order="S"/>
                     <bond atomRefs2="a8 a38" order="S"/>
                     <bond atomRefs2="a8 a37" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a23" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a25" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a26" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a15 a29" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a43" order="S"/>
                     <bond atomRefs2="a16 a30" order="S"/>
                     <bond atomRefs2="a16 a26" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a47" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a23" order="S"/>
                     <bond atomRefs2="a19 a34" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a26" order="S"/>
                     <bond atomRefs2="a21 a27" order="S"/>
                     <bond atomRefs2="a21 a23" order="S"/>
                     <bond atomRefs2="a22 a28" order="S"/>
                     <bond atomRefs2="a22 a24" order="S"/>
                     <bond atomRefs2="a22 a23" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a24" order="S"/>
                     <bond atomRefs2="a23 a59" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a57" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a30 a61" order="S"/>
                     <bond atomRefs2="a30 a47" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a66" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a61" order="S"/>
                     <bond atomRefs2="a33 a35" order="S"/>
                     <bond atomRefs2="a33 a34" order="S"/>
                     <bond atomRefs2="a33 a37" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a35" order="S"/>
                     <bond atomRefs2="a34 a38" order="S"/>
                     <bond atomRefs2="a34 a37" order="S"/>
                     <bond atomRefs2="a34 a36" order="S"/>
                     <bond atomRefs2="a35 a36" order="S"/>
                     <bond atomRefs2="a35 a39" order="S"/>
                     <bond atomRefs2="a35 a37" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a40" order="S"/>
                     <bond atomRefs2="a36 a39" order="S"/>
                     <bond atomRefs2="a36 a38" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a44" order="S"/>
                     <bond atomRefs2="a38 a40" order="S"/>
                     <bond atomRefs2="a38 a39" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a57" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a58" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a67" order="S"/>
                     <bond atomRefs2="a47 a57" order="S"/>
                     <bond atomRefs2="a47 a61" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a48 a68" order="S"/>
                     <bond atomRefs2="a48 a58" order="S"/>
                     <bond atomRefs2="a48 a62" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                     <bond atomRefs2="a63 a69" order="S"/>
                  </bondArray>
                  <formula concise="Br5Cu64">
                     <atomArray count="5 64" elementType="Br Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4466.463999999996</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.16">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">10.364410710831562</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">10.364412581405663</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.16843459"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.16843372"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.4184342"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.4184343"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.24343294"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.24343304"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.49343352"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.49343362"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.05211"
                           xFract="0.06500176"
                           y3="0.66089"
                           yFract="0.07367584"
                           z3="5.36876"
                           zFract="0.2489952"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="3.6475"
                           xFract="0.31769813"
                           y3="0.62822"
                           yFract="0.0700338"
                           z3="5.49335"
                           zFract="0.2474351"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="2.34582"
                           xFract="0.06748825"
                           y3="2.86811"
                           yFract="0.31973615"
                           z3="5.60788"
                           zFract="0.25285029"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.90428"
                           xFract="0.31688356"
                           y3="2.8306"
                           yFract="0.31555454"
                           z3="5.67324"
                           zFract="0.24861217"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.25666"
                           xFract="0.14439033"
                           y3="1.32806"
                           yFract="0.14805178"
                           z3="7.62495"
                           zFract="0.35078364"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="4.76389"
                           xFract="0.38706097"
                           y3="1.32247"
                           yFract="0.14742861"
                           z3="7.80716"
                           zFract="0.35214946"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="3.57148"
                           xFract="0.15015908"
                           y3="3.51292"
                           yFract="0.3916194"
                           z3="7.79196"
                           zFract="0.35121521"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.09786"
                           xFract="0.39516397"
                           y3="3.49863"
                           yFract="0.39002635"
                           z3="7.80423"
                           zFract="0.3445277"/>
                     <atom elementType="Cu"
                           id="a17"
                           x3="5.1870"
                           xFract="0.16843382"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a18"
                           x3="6.47529"
                           xFract="0.16843391"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a19"
                           x3="7.77327"
                           xFract="0.4184344"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a20"
                           x3="9.06156"
                           xFract="0.41843449"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="6.34936"
                           xFract="0.24343314"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="7.63765"
                           xFract="0.24343323"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="8.93563"
                           xFract="0.49343372"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="10.22391"
                           xFract="0.49343285"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="3.64382"
                           xFract="0.06912554"
                           y3="5.09809"
                           yFract="0.56833373"
                           z3="5.78527"
                           zFract="0.25374445"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.21221"
                           xFract="0.31754325"
                           y3="5.09547"
                           yFract="0.56804166"
                           z3="5.83916"
                           zFract="0.2488786"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.87258"
                           xFract="0.06610389"
                           y3="7.29144"
                           yFract="0.81284782"
                           z3="5.8214"
                           zFract="0.24823923"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.55949"
                           xFract="0.32621817"
                           y3="7.2845"
                           yFract="0.81207415"
                           z3="5.98817"
                           zFract="0.24836085"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.83484"
                           xFract="0.1463705"
                           y3="5.78031"
                           yFract="0.64438744"
                           z3="8.0249"
                           zFract="0.354766"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="7.32256"
                           xFract="0.38655103"
                           y3="5.7856"
                           yFract="0.64497717"
                           z3="8.17384"
                           zFract="0.35460128"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.10347"
                           xFract="0.14144483"
                           y3="8.07735"
                           yFract="0.90046086"
                           z3="7.75241"
                           zFract="0.33442126"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.67941"
                           xFract="0.39453118"
                           y3="8.0038"
                           yFract="0.89226152"
                           z3="8.13163"
                           zFract="0.34499125"/>
                     <atom elementType="Cu"
                           id="a33"
                           x3="7.78295"
                           xFract="0.66843382"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a34"
                           x3="9.07124"
                           xFract="0.66843391"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a35"
                           x3="10.36922"
                           xFract="0.9184344"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a36"
                           x3="11.65751"
                           xFract="0.91843449"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a37"
                           x3="8.94531"
                           xFract="0.74343314"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a38"
                           x3="10.2336"
                           xFract="0.74343323"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a39"
                           x3="11.53158"
                           xFract="0.99343372"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a40"
                           x3="12.81986"
                           xFract="0.99343285"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a41"
                           x3="6.22269"
                           xFract="0.56367008"
                           y3="0.68148"
                           yFract="0.07597121"
                           z3="5.71774"
                           zFract="0.25049531"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="8.80535"
                           xFract="0.8160977"
                           y3="0.63149"
                           yFract="0.07039834"
                           z3="5.80678"
                           zFract="0.2473247"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="7.53483"
                           xFract="0.57115723"
                           y3="2.83073"
                           yFract="0.31556904"
                           z3="5.83637"
                           zFract="0.24871298"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.08364"
                           xFract="0.81574255"
                           y3="2.86304"
                           yFract="0.31917095"
                           z3="6.08104"
                           zFract="0.25284049"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.42274"
                           xFract="0.64374594"
                           y3="1.32844"
                           yFract="0.14809414"
                           z3="7.96809"
                           zFract="0.35205513"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="9.93219"
                           xFract="0.88608641"
                           y3="1.33266"
                           yFract="0.14856459"
                           z3="8.09654"
                           zFract="0.3508634"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="8.62395"
                           xFract="0.63810949"
                           y3="3.52092"
                           yFract="0.39251124"
                           z3="8.09569"
                           zFract="0.35094363"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.25592"
                           xFract="0.89408028"
                           y3="3.49296"
                           yFract="0.38939426"
                           z3="8.39424"
                           zFract="0.35747226"/>
                     <atom elementType="Cu"
                           id="a49"
                           x3="10.35953"
                           xFract="0.66843401"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.90692"
                           zFract="0.05000395"/>
                     <atom elementType="Cu"
                           id="a50"
                           x3="11.64782"
                           xFract="0.66843411"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.0652"
                           zFract="0.05000409"/>
                     <atom elementType="Cu"
                           id="a51"
                           x3="12.9458"
                           xFract="0.91843459"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="2.0652"
                           zFract="0.05000408"/>
                     <atom elementType="Cu"
                           id="a52"
                           x3="14.23408"
                           xFract="0.91843372"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.22348"
                           zFract="0.05000424"/>
                     <atom elementType="Cu"
                           id="a53"
                           x3="11.52189"
                           xFract="0.74343333"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.1228"
                           zFract="0.15000418"/>
                     <atom elementType="Cu"
                           id="a54"
                           x3="12.81018"
                           xFract="0.74343343"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.28107"
                           zFract="0.15000385"/>
                     <atom elementType="Cu"
                           id="a55"
                           x3="14.10815"
                           xFract="0.99343294"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.28107"
                           zFract="0.15000386"/>
                     <atom elementType="Cu"
                           id="a56"
                           x3="15.39644"
                           xFract="0.99343304"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.43935"
                           zFract="0.150004"/>
                     <atom elementType="Cu"
                           id="a57"
                           x3="8.77287"
                           xFract="0.5649211"
                           y3="5.09812"
                           yFract="0.56833708"
                           z3="6.0982"
                           zFract="0.25369899"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="11.38353"
                           xFract="0.81840272"
                           y3="5.07789"
                           yFract="0.56608184"
                           z3="6.19343"
                           zFract="0.25068974"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="10.05591"
                           xFract="0.56696092"
                           y3="7.29481"
                           yFract="0.8132235"
                           z3="6.11517"
                           zFract="0.24712818"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.72417"
                           xFract="0.82517023"
                           y3="7.28971"
                           yFract="0.81265496"
                           z3="6.27873"
                           zFract="0.24714918"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.98353"
                           xFract="0.64560775"
                           y3="5.75255"
                           yFract="0.64129276"
                           z3="8.3054"
                           zFract="0.35318122"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="12.52317"
                           xFract="0.89126857"
                           y3="5.74953"
                           yFract="0.64095609"
                           z3="8.45718"
                           zFract="0.35301447"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="11.27736"
                           xFract="0.64222176"
                           y3="8.06573"
                           yFract="0.89916546"
                           z3="8.05367"
                           zFract="0.33371563"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.83449"
                           xFract="0.89288345"
                           y3="8.0031"
                           yFract="0.89218349"
                           z3="8.44687"
                           zFract="0.34498081"/>
                     <atom elementType="Br"
                           id="a65"
                           x3="4.19177"
                           xFract="0.21325608"
                           y3="3.45643"
                           yFract="0.38532191"
                           z3="9.84108"
                           zFract="0.44613487"/>
                     <atom elementType="Br"
                           id="a66"
                           x3="5.94432"
                           xFract="0.15708757"
                           y3="7.51862"
                           yFract="0.83817378"
                           z3="10.19878"
                           zFract="0.45115897"/>
                     <atom elementType="Br"
                           id="a67"
                           x3="7.73971"
                           xFract="0.55876881"
                           y3="3.41046"
                           yFract="0.38019719"
                           z3="10.03673"
                           zFract="0.44519884"/>
                     <atom elementType="Br"
                           id="a68"
                           x3="11.08293"
                           xFract="0.90542038"
                           y3="2.98762"
                           yFract="0.33305909"
                           z3="10.96445"
                           zFract="0.47999974"/>
                     <atom elementType="Br"
                           id="a69"
                           x3="11.10078"
                           xFract="0.65045327"
                           y3="7.61012"
                           yFract="0.84837418"
                           z3="10.52194"
                           zFract="0.45136399"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a33" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a4 a33" order="S"/>
                     <bond atomRefs2="a4 a19" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a17" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a34" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a26" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a7 a33" order="S"/>
                     <bond atomRefs2="a7 a41" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a37" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a21" order="S"/>
                     <bond atomRefs2="a8 a26" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a34" order="S"/>
                     <bond atomRefs2="a8 a38" order="S"/>
                     <bond atomRefs2="a8 a37" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a23" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a25" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a26" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a15 a29" order="S"/>
                     <bond atomRefs2="a16 a43" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a30" order="S"/>
                     <bond atomRefs2="a16 a26" order="S"/>
                     <bond atomRefs2="a16 a47" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a23" order="S"/>
                     <bond atomRefs2="a19 a34" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a26" order="S"/>
                     <bond atomRefs2="a21 a27" order="S"/>
                     <bond atomRefs2="a21 a23" order="S"/>
                     <bond atomRefs2="a22 a28" order="S"/>
                     <bond atomRefs2="a22 a24" order="S"/>
                     <bond atomRefs2="a22 a23" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a24" order="S"/>
                     <bond atomRefs2="a23 a59" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a57" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a30 a61" order="S"/>
                     <bond atomRefs2="a30 a47" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a66" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a61" order="S"/>
                     <bond atomRefs2="a33 a35" order="S"/>
                     <bond atomRefs2="a33 a34" order="S"/>
                     <bond atomRefs2="a33 a37" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a35" order="S"/>
                     <bond atomRefs2="a34 a38" order="S"/>
                     <bond atomRefs2="a34 a37" order="S"/>
                     <bond atomRefs2="a34 a36" order="S"/>
                     <bond atomRefs2="a35 a36" order="S"/>
                     <bond atomRefs2="a35 a39" order="S"/>
                     <bond atomRefs2="a35 a37" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a40" order="S"/>
                     <bond atomRefs2="a36 a39" order="S"/>
                     <bond atomRefs2="a36 a38" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a44" order="S"/>
                     <bond atomRefs2="a38 a40" order="S"/>
                     <bond atomRefs2="a38 a39" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a57" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a58" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a57" order="S"/>
                     <bond atomRefs2="a47 a61" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a47 a67" order="S"/>
                     <bond atomRefs2="a48 a68" order="S"/>
                     <bond atomRefs2="a48 a62" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                     <bond atomRefs2="a63 a69" order="S"/>
                  </bondArray>
                  <formula concise="Br5Cu64">
                     <atomArray count="5 64" elementType="Br Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4466.463999999996</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.17">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">10.364410710831562</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">10.364412581405663</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.16843459"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.16843372"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.4184342"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.4184343"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.24343294"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.24343304"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.49343352"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.49343362"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.05289"
                           xFract="0.06722899"
                           y3="0.62214"
                           yFract="0.069356"
                           z3="5.37941"
                           zFract="0.24955981"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="3.64612"
                           xFract="0.31832939"
                           y3="0.61445"
                           yFract="0.06849872"
                           z3="5.51012"
                           zFract="0.24825278"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="2.34724"
                           xFract="0.06795648"
                           y3="2.86215"
                           yFract="0.31907173"
                           z3="5.58987"
                           zFract="0.25200699"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.90901"
                           xFract="0.31701093"
                           y3="2.83654"
                           yFract="0.31621673"
                           z3="5.68107"
                           zFract="0.24895778"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.24277"
                           xFract="0.14488186"
                           y3="1.29503"
                           yFract="0.1443696"
                           z3="7.57841"
                           zFract="0.34868454"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="4.78462"
                           xFract="0.39052585"
                           y3="1.29616"
                           yFract="0.14449558"
                           z3="7.75907"
                           zFract="0.34986616"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="3.5589"
                           xFract="0.14913407"
                           y3="3.50948"
                           yFract="0.39123591"
                           z3="7.80483"
                           zFract="0.35186407"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.09615"
                           xFract="0.39469158"
                           y3="3.50416"
                           yFract="0.39064284"
                           z3="7.8177"
                           zFract="0.34515851"/>
                     <atom elementType="Cu"
                           id="a17"
                           x3="5.1870"
                           xFract="0.16843382"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a18"
                           x3="6.47529"
                           xFract="0.16843391"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a19"
                           x3="7.77327"
                           xFract="0.4184344"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a20"
                           x3="9.06156"
                           xFract="0.41843449"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="6.34936"
                           xFract="0.24343314"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="7.63765"
                           xFract="0.24343323"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="8.93563"
                           xFract="0.49343372"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="10.22391"
                           xFract="0.49343285"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="3.63782"
                           xFract="0.06904145"
                           y3="5.08916"
                           yFract="0.56733822"
                           z3="5.7573"
                           zFract="0.25245791"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.2146"
                           xFract="0.31778927"
                           y3="5.0952"
                           yFract="0.56801156"
                           z3="5.84123"
                           zFract="0.24896975"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.90084"
                           xFract="0.06764226"
                           y3="7.31293"
                           yFract="0.81524352"
                           z3="5.8497"
                           zFract="0.24945613"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.52667"
                           xFract="0.32168069"
                           y3="7.30908"
                           yFract="0.81481432"
                           z3="6.01142"
                           zFract="0.24951072"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.81852"
                           xFract="0.14548707"
                           y3="5.76781"
                           yFract="0.64299394"
                           z3="7.95608"
                           zFract="0.35158914"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="7.34587"
                           xFract="0.38962503"
                           y3="5.77082"
                           yFract="0.6433295"
                           z3="8.10878"
                           zFract="0.35149115"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.09223"
                           xFract="0.14203481"
                           y3="8.04716"
                           yFract="0.89709528"
                           z3="7.91078"
                           zFract="0.34197119"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.6753"
                           xFract="0.39422385"
                           y3="8.00218"
                           yFract="0.89208093"
                           z3="8.15086"
                           zFract="0.34591251"/>
                     <atom elementType="Cu"
                           id="a33"
                           x3="7.78295"
                           xFract="0.66843382"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a34"
                           x3="9.07124"
                           xFract="0.66843391"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a35"
                           x3="10.36922"
                           xFract="0.9184344"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a36"
                           x3="11.65751"
                           xFract="0.91843449"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a37"
                           x3="8.94531"
                           xFract="0.74343314"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a38"
                           x3="10.2336"
                           xFract="0.74343323"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a39"
                           x3="11.53158"
                           xFract="0.99343372"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a40"
                           x3="12.81986"
                           xFract="0.99343285"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a41"
                           x3="6.22414"
                           xFract="0.56642853"
                           y3="0.63433"
                           yFract="0.07071494"
                           z3="5.71732"
                           zFract="0.25055006"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="8.80727"
                           xFract="0.81712459"
                           y3="0.61634"
                           yFract="0.06870942"
                           z3="5.82469"
                           zFract="0.24818891"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="7.53252"
                           xFract="0.57060241"
                           y3="2.8367"
                           yFract="0.31623457"
                           z3="5.84308"
                           zFract="0.24902605"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.08747"
                           xFract="0.81633101"
                           y3="2.85911"
                           yFract="0.31873283"
                           z3="6.06323"
                           zFract="0.25199627"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.40566"
                           xFract="0.64371197"
                           y3="1.29932"
                           yFract="0.14484785"
                           z3="7.91836"
                           zFract="0.3498083"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="9.94991"
                           xFract="0.88972623"
                           y3="1.29796"
                           yFract="0.14469624"
                           z3="8.05128"
                           zFract="0.34873623"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="8.6265"
                           xFract="0.63869639"
                           y3="3.51479"
                           yFract="0.39182787"
                           z3="8.11137"
                           zFract="0.35168582"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.25904"
                           xFract="0.89392763"
                           y3="3.50114"
                           yFract="0.39030617"
                           z3="8.31607"
                           zFract="0.35376391"/>
                     <atom elementType="Cu"
                           id="a49"
                           x3="10.35953"
                           xFract="0.66843401"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.90692"
                           zFract="0.05000395"/>
                     <atom elementType="Cu"
                           id="a50"
                           x3="11.64782"
                           xFract="0.66843411"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.0652"
                           zFract="0.05000409"/>
                     <atom elementType="Cu"
                           id="a51"
                           x3="12.9458"
                           xFract="0.91843459"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="2.0652"
                           zFract="0.05000408"/>
                     <atom elementType="Cu"
                           id="a52"
                           x3="14.23408"
                           xFract="0.91843372"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.22348"
                           zFract="0.05000424"/>
                     <atom elementType="Cu"
                           id="a53"
                           x3="11.52189"
                           xFract="0.74343333"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.1228"
                           zFract="0.15000418"/>
                     <atom elementType="Cu"
                           id="a54"
                           x3="12.81018"
                           xFract="0.74343343"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.28107"
                           zFract="0.15000385"/>
                     <atom elementType="Cu"
                           id="a55"
                           x3="14.10815"
                           xFract="0.99343294"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.28107"
                           zFract="0.15000386"/>
                     <atom elementType="Cu"
                           id="a56"
                           x3="15.39644"
                           xFract="0.99343304"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.43935"
                           zFract="0.150004"/>
                     <atom elementType="Cu"
                           id="a57"
                           x3="8.78535"
                           xFract="0.56662392"
                           y3="5.08918"
                           yFract="0.56734045"
                           z3="6.07175"
                           zFract="0.2524308"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="11.38602"
                           xFract="0.8185268"
                           y3="5.07999"
                           yFract="0.56631595"
                           z3="6.18436"
                           zFract="0.2502514"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="10.0804"
                           xFract="0.56808933"
                           y3="7.31712"
                           yFract="0.81571062"
                           z3="6.15014"
                           zFract="0.24866907"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.69426"
                           xFract="0.82090849"
                           y3="7.31439"
                           yFract="0.81540628"
                           z3="6.30991"
                           zFract="0.2486644"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.97169"
                           xFract="0.64427721"
                           y3="5.7559"
                           yFract="0.64166622"
                           z3="8.24301"
                           zFract="0.35026813"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="12.54114"
                           xFract="0.89275463"
                           y3="5.75405"
                           yFract="0.64145998"
                           z3="8.3977"
                           zFract="0.35015061"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="11.26554"
                           xFract="0.64235085"
                           y3="8.04283"
                           yFract="0.89661258"
                           z3="8.21898"
                           zFract="0.34158228"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.83802"
                           xFract="0.89329964"
                           y3="8.00175"
                           yFract="0.89203299"
                           z3="8.46666"
                           zFract="0.34590597"/>
                     <atom elementType="Br"
                           id="a65"
                           x3="3.88265"
                           xFract="0.18797034"
                           y3="3.37368"
                           yFract="0.37609696"
                           z3="10.01012"
                           zFract="0.45513521"/>
                     <atom elementType="Br"
                           id="a66"
                           x3="5.93638"
                           xFract="0.15270443"
                           y3="7.58373"
                           yFract="0.84543223"
                           z3="10.29808"
                           zFract="0.45575509"/>
                     <atom elementType="Br"
                           id="a67"
                           x3="8.0189"
                           xFract="0.58935166"
                           y3="3.34572"
                           yFract="0.37297999"
                           z3="10.24982"
                           zFract="0.45454846"/>
                     <atom elementType="Br"
                           id="a68"
                           x3="11.0870"
                           xFract="0.89794449"
                           y3="3.12933"
                           yFract="0.34885689"
                           z3="10.94241"
                           zFract="0.47871215"/>
                     <atom elementType="Br"
                           id="a69"
                           x3="11.09909"
                           xFract="0.64852457"
                           y3="7.64191"
                           yFract="0.85191812"
                           z3="10.61808"
                           zFract="0.45584873"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a3 a33" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a4 a19" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a17" order="S"/>
                     <bond atomRefs2="a4 a33" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a34" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a26" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a33" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a41" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a37" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a21" order="S"/>
                     <bond atomRefs2="a8 a26" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a34" order="S"/>
                     <bond atomRefs2="a8 a38" order="S"/>
                     <bond atomRefs2="a8 a37" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a23" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a25" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a26" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a15 a29" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a43" order="S"/>
                     <bond atomRefs2="a16 a30" order="S"/>
                     <bond atomRefs2="a16 a26" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a47" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a23" order="S"/>
                     <bond atomRefs2="a19 a34" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a26" order="S"/>
                     <bond atomRefs2="a21 a27" order="S"/>
                     <bond atomRefs2="a21 a23" order="S"/>
                     <bond atomRefs2="a22 a28" order="S"/>
                     <bond atomRefs2="a22 a24" order="S"/>
                     <bond atomRefs2="a22 a23" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a24" order="S"/>
                     <bond atomRefs2="a23 a59" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a57" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a30 a61" order="S"/>
                     <bond atomRefs2="a30 a47" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a66" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a61" order="S"/>
                     <bond atomRefs2="a33 a35" order="S"/>
                     <bond atomRefs2="a33 a34" order="S"/>
                     <bond atomRefs2="a33 a37" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a35" order="S"/>
                     <bond atomRefs2="a34 a38" order="S"/>
                     <bond atomRefs2="a34 a37" order="S"/>
                     <bond atomRefs2="a34 a36" order="S"/>
                     <bond atomRefs2="a35 a36" order="S"/>
                     <bond atomRefs2="a35 a39" order="S"/>
                     <bond atomRefs2="a35 a37" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a40" order="S"/>
                     <bond atomRefs2="a36 a39" order="S"/>
                     <bond atomRefs2="a36 a38" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a44" order="S"/>
                     <bond atomRefs2="a38 a40" order="S"/>
                     <bond atomRefs2="a38 a39" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a57" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a58" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a67" order="S"/>
                     <bond atomRefs2="a47 a57" order="S"/>
                     <bond atomRefs2="a47 a61" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a48 a68" order="S"/>
                     <bond atomRefs2="a48 a58" order="S"/>
                     <bond atomRefs2="a48 a62" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                     <bond atomRefs2="a63 a69" order="S"/>
                  </bondArray>
                  <formula concise="Br5Cu64">
                     <atomArray count="5 64" elementType="Br Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4466.463999999996</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.18">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">10.364410710831562</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">10.364412581405663</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.16843459"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.16843372"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.4184342"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.4184343"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.24343294"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.24343304"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.49343352"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.49343362"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.05289"
                           xFract="0.06714292"
                           y3="0.62369"
                           yFract="0.0695288"
                           z3="5.37871"
                           zFract="0.24952422"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="3.64604"
                           xFract="0.31829778"
                           y3="0.61488"
                           yFract="0.06854666"
                           z3="5.5099"
                           zFract="0.24824192"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="2.34705"
                           xFract="0.06791701"
                           y3="2.86253"
                           yFract="0.31911409"
                           z3="5.59044"
                           zFract="0.25203377"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.9090"
                           xFract="0.31700885"
                           y3="2.83656"
                           yFract="0.31621896"
                           z3="5.68081"
                           zFract="0.24894552"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.24301"
                           xFract="0.14484897"
                           y3="1.29604"
                           yFract="0.1444822"
                           z3="7.58003"
                           zFract="0.34875855"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="4.78403"
                           xFract="0.3904305"
                           y3="1.29685"
                           yFract="0.1445725"
                           z3="7.7606"
                           zFract="0.34993885"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="3.55871"
                           xFract="0.14908461"
                           y3="3.51004"
                           yFract="0.39129834"
                           z3="7.8022"
                           zFract="0.35173968"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.09619"
                           xFract="0.39469878"
                           y3="3.5041"
                           yFract="0.39063615"
                           z3="7.81793"
                           zFract="0.34516933"/>
                     <atom elementType="Cu"
                           id="a17"
                           x3="5.1870"
                           xFract="0.16843382"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a18"
                           x3="6.47529"
                           xFract="0.16843391"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a19"
                           x3="7.77327"
                           xFract="0.4184344"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a20"
                           x3="9.06156"
                           xFract="0.41843449"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="6.34936"
                           xFract="0.24343314"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="7.63765"
                           xFract="0.24343323"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="8.93563"
                           xFract="0.49343372"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="10.22391"
                           xFract="0.49343285"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="3.63796"
                           xFract="0.06904443"
                           y3="5.08935"
                           yFract="0.5673594"
                           z3="5.75823"
                           zFract="0.25250103"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.2145"
                           xFract="0.31778183"
                           y3="5.09516"
                           yFract="0.5680071"
                           z3="5.84142"
                           zFract="0.24897907"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.90003"
                           xFract="0.0676045"
                           y3="7.3122"
                           yFract="0.81516214"
                           z3="5.84836"
                           zFract="0.2493965"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.52769"
                           xFract="0.32182426"
                           y3="7.30827"
                           yFract="0.81472402"
                           z3="6.01022"
                           zFract="0.24945256"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.81891"
                           xFract="0.14548923"
                           y3="5.76845"
                           yFract="0.64306529"
                           z3="7.95849"
                           zFract="0.35170057"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="7.34526"
                           xFract="0.38952719"
                           y3="5.77152"
                           yFract="0.64340753"
                           z3="8.11106"
                           zFract="0.35159925"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.09253"
                           xFract="0.14200828"
                           y3="8.04816"
                           yFract="0.89720676"
                           z3="7.90643"
                           zFract="0.34176355"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.67546"
                           xFract="0.39422932"
                           y3="8.00236"
                           yFract="0.89210099"
                           z3="8.15031"
                           zFract="0.34588581"/>
                     <atom elementType="Cu"
                           id="a33"
                           x3="7.78295"
                           xFract="0.66843382"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a34"
                           x3="9.07124"
                           xFract="0.66843391"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a35"
                           x3="10.36922"
                           xFract="0.9184344"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a36"
                           x3="11.65751"
                           xFract="0.91843449"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a37"
                           x3="8.94531"
                           xFract="0.74343314"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a38"
                           x3="10.2336"
                           xFract="0.74343323"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a39"
                           x3="11.53158"
                           xFract="0.99343372"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a40"
                           x3="12.81986"
                           xFract="0.99343285"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a41"
                           x3="6.22412"
                           xFract="0.56632886"
                           y3="0.63609"
                           yFract="0.07091115"
                           z3="5.71694"
                           zFract="0.25052927"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="8.80729"
                           xFract="0.81710098"
                           y3="0.6168"
                           yFract="0.0687607"
                           z3="5.82447"
                           zFract="0.24817771"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="7.53247"
                           xFract="0.57059703"
                           y3="2.83671"
                           yFract="0.31623569"
                           z3="5.84282"
                           zFract="0.24901392"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.0875"
                           xFract="0.81631558"
                           y3="2.85944"
                           yFract="0.31876962"
                           z3="6.06378"
                           zFract="0.25202156"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.40615"
                           xFract="0.64371436"
                           y3="1.30013"
                           yFract="0.14493815"
                           z3="7.91996"
                           zFract="0.34988097"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="9.94956"
                           xFract="0.8896352"
                           y3="1.29899"
                           yFract="0.14481106"
                           z3="8.05289"
                           zFract="0.34881143"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="8.62728"
                           xFract="0.63873236"
                           y3="3.5155"
                           yFract="0.39190702"
                           z3="8.10865"
                           zFract="0.35155413"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.25887"
                           xFract="0.89392786"
                           y3="3.50084"
                           yFract="0.39027272"
                           z3="8.31981"
                           zFract="0.35394124"/>
                     <atom elementType="Cu"
                           id="a49"
                           x3="10.35953"
                           xFract="0.66843401"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.90692"
                           zFract="0.05000395"/>
                     <atom elementType="Cu"
                           id="a50"
                           x3="11.64782"
                           xFract="0.66843411"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.0652"
                           zFract="0.05000409"/>
                     <atom elementType="Cu"
                           id="a51"
                           x3="12.9458"
                           xFract="0.91843459"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="2.0652"
                           zFract="0.05000408"/>
                     <atom elementType="Cu"
                           id="a52"
                           x3="14.23408"
                           xFract="0.91843372"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.22348"
                           zFract="0.05000424"/>
                     <atom elementType="Cu"
                           id="a53"
                           x3="11.52189"
                           xFract="0.74343333"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.1228"
                           zFract="0.15000418"/>
                     <atom elementType="Cu"
                           id="a54"
                           x3="12.81018"
                           xFract="0.74343343"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.28107"
                           zFract="0.15000385"/>
                     <atom elementType="Cu"
                           id="a55"
                           x3="14.10815"
                           xFract="0.99343294"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.28107"
                           zFract="0.15000386"/>
                     <atom elementType="Cu"
                           id="a56"
                           x3="15.39644"
                           xFract="0.99343304"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.43935"
                           zFract="0.150004"/>
                     <atom elementType="Cu"
                           id="a57"
                           x3="8.78502"
                           xFract="0.56658147"
                           y3="5.08937"
                           yFract="0.56736163"
                           z3="6.07264"
                           zFract="0.2524734"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="11.38592"
                           xFract="0.81852713"
                           y3="5.07981"
                           yFract="0.56629589"
                           z3="6.18502"
                           zFract="0.25028311"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="10.07967"
                           xFract="0.56806541"
                           y3="7.31628"
                           yFract="0.81561697"
                           z3="6.14866"
                           zFract="0.2486028"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.6952"
                           xFract="0.82104988"
                           y3="7.31348"
                           yFract="0.81530483"
                           z3="6.30856"
                           zFract="0.24859955"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.97211"
                           xFract="0.64431504"
                           y3="5.75595"
                           yFract="0.64167179"
                           z3="8.24514"
                           zFract="0.35036726"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="12.54054"
                           xFract="0.89269663"
                           y3="5.75405"
                           yFract="0.64145998"
                           z3="8.39974"
                           zFract="0.35024852"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="11.26588"
                           xFract="0.64234818"
                           y3="8.04347"
                           yFract="0.89668392"
                           z3="8.21448"
                           zFract="0.34136805"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.83791"
                           xFract="0.89327902"
                           y3="8.00193"
                           yFract="0.89205306"
                           z3="8.46607"
                           zFract="0.34587817"/>
                     <atom elementType="Br"
                           id="a65"
                           x3="3.89588"
                           xFract="0.18908317"
                           y3="3.37667"
                           yFract="0.37643029"
                           z3="10.00525"
                           zFract="0.45486242"/>
                     <atom elementType="Br"
                           id="a66"
                           x3="5.93673"
                           xFract="0.15289263"
                           y3="7.58095"
                           yFract="0.84512232"
                           z3="10.29359"
                           zFract="0.45554702"/>
                     <atom elementType="Br"
                           id="a67"
                           x3="8.00652"
                           xFract="0.58803056"
                           y3="3.34796"
                           yFract="0.3732297"
                           z3="10.24312"
                           zFract="0.45426454"/>
                     <atom elementType="Br"
                           id="a68"
                           x3="11.08698"
                           xFract="0.89823909"
                           y3="3.12399"
                           yFract="0.34826158"
                           z3="10.94199"
                           zFract="0.47870133"/>
                     <atom elementType="Br"
                           id="a69"
                           x3="11.09918"
                           xFract="0.6486088"
                           y3="7.64055"
                           yFract="0.85176651"
                           z3="10.61374"
                           zFract="0.45564612"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a3 a33" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a4 a19" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a17" order="S"/>
                     <bond atomRefs2="a4 a33" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a34" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a26" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a33" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a41" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a37" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a21" order="S"/>
                     <bond atomRefs2="a8 a26" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a34" order="S"/>
                     <bond atomRefs2="a8 a38" order="S"/>
                     <bond atomRefs2="a8 a37" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a23" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a25" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a26" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a15 a29" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a43" order="S"/>
                     <bond atomRefs2="a16 a30" order="S"/>
                     <bond atomRefs2="a16 a26" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a47" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a23" order="S"/>
                     <bond atomRefs2="a19 a34" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a26" order="S"/>
                     <bond atomRefs2="a21 a27" order="S"/>
                     <bond atomRefs2="a21 a23" order="S"/>
                     <bond atomRefs2="a22 a28" order="S"/>
                     <bond atomRefs2="a22 a24" order="S"/>
                     <bond atomRefs2="a22 a23" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a24" order="S"/>
                     <bond atomRefs2="a23 a59" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a57" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a30 a61" order="S"/>
                     <bond atomRefs2="a30 a47" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a66" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a61" order="S"/>
                     <bond atomRefs2="a33 a35" order="S"/>
                     <bond atomRefs2="a33 a34" order="S"/>
                     <bond atomRefs2="a33 a37" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a35" order="S"/>
                     <bond atomRefs2="a34 a38" order="S"/>
                     <bond atomRefs2="a34 a37" order="S"/>
                     <bond atomRefs2="a34 a36" order="S"/>
                     <bond atomRefs2="a35 a36" order="S"/>
                     <bond atomRefs2="a35 a39" order="S"/>
                     <bond atomRefs2="a35 a37" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a40" order="S"/>
                     <bond atomRefs2="a36 a39" order="S"/>
                     <bond atomRefs2="a36 a38" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a44" order="S"/>
                     <bond atomRefs2="a38 a40" order="S"/>
                     <bond atomRefs2="a38 a39" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a57" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a58" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a67" order="S"/>
                     <bond atomRefs2="a47 a57" order="S"/>
                     <bond atomRefs2="a47 a61" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a48 a68" order="S"/>
                     <bond atomRefs2="a48 a58" order="S"/>
                     <bond atomRefs2="a48 a62" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                     <bond atomRefs2="a63 a69" order="S"/>
                  </bondArray>
                  <formula concise="Br5Cu64">
                     <atomArray count="5 64" elementType="Br Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4466.463999999996</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.19">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">10.364410710831562</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">10.364412581405663</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.16843459"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.16843372"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.4184342"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.4184343"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.24343294"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.24343304"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.49343352"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.49343362"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.05287"
                           xFract="0.06688332"
                           y3="0.62833"
                           yFract="0.07004606"
                           z3="5.3766"
                           zFract="0.24941704"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="3.6458"
                           xFract="0.31820295"
                           y3="0.61617"
                           yFract="0.06869047"
                           z3="5.50925"
                           zFract="0.24820981"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="2.34648"
                           xFract="0.0677975"
                           y3="2.86369"
                           yFract="0.31924341"
                           z3="5.59213"
                           zFract="0.25211316"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.90897"
                           xFract="0.31700373"
                           y3="2.8366"
                           yFract="0.31622342"
                           z3="5.68003"
                           zFract="0.24890876"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.24373"
                           xFract="0.1447492"
                           y3="1.29909"
                           yFract="0.14482221"
                           z3="7.58491"
                           zFract="0.34898147"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="4.78227"
                           xFract="0.39014542"
                           y3="1.29892"
                           yFract="0.14480326"
                           z3="7.76521"
                           zFract="0.35015783"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="3.55812"
                           xFract="0.14893317"
                           y3="3.51174"
                           yFract="0.39148785"
                           z3="7.7943"
                           zFract="0.35136606"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.09631"
                           xFract="0.39472038"
                           y3="3.50392"
                           yFract="0.39061608"
                           z3="7.81863"
                           zFract="0.34520229"/>
                     <atom elementType="Cu"
                           id="a17"
                           x3="5.1870"
                           xFract="0.16843382"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a18"
                           x3="6.47529"
                           xFract="0.16843391"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a19"
                           x3="7.77327"
                           xFract="0.4184344"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a20"
                           x3="9.06156"
                           xFract="0.41843449"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="6.34936"
                           xFract="0.24343314"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="7.63765"
                           xFract="0.24343323"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="8.93563"
                           xFract="0.49343372"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="10.22391"
                           xFract="0.49343285"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="3.63839"
                           xFract="0.06905323"
                           y3="5.08994"
                           yFract="0.56742517"
                           z3="5.76104"
                           zFract="0.2526313"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.21422"
                           xFract="0.31776143"
                           y3="5.09504"
                           yFract="0.56799372"
                           z3="5.84199"
                           zFract="0.24900695"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.89759"
                           xFract="0.0674897"
                           y3="7.31002"
                           yFract="0.81491911"
                           z3="5.84434"
                           zFract="0.24921764"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.53073"
                           xFract="0.32225417"
                           y3="7.30582"
                           yFract="0.8144509"
                           z3="6.0066"
                           zFract="0.24927719"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.82005"
                           xFract="0.14549281"
                           y3="5.77037"
                           yFract="0.64327933"
                           z3="7.96573"
                           zFract="0.35203544"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="7.34344"
                           xFract="0.38923576"
                           y3="5.7736"
                           yFract="0.64363941"
                           z3="8.11793"
                           zFract="0.35192494"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.09342"
                           xFract="0.1419266"
                           y3="8.05118"
                           yFract="0.89754343"
                           z3="7.89337"
                           zFract="0.34114017"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.67593"
                           xFract="0.39424421"
                           y3="8.00291"
                           yFract="0.89216231"
                           z3="8.14866"
                           zFract="0.34580574"/>
                     <atom elementType="Cu"
                           id="a33"
                           x3="7.78295"
                           xFract="0.66843382"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a34"
                           x3="9.07124"
                           xFract="0.66843391"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a35"
                           x3="10.36922"
                           xFract="0.9184344"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a36"
                           x3="11.65751"
                           xFract="0.91843449"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a37"
                           x3="8.94531"
                           xFract="0.74343314"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a38"
                           x3="10.2336"
                           xFract="0.74343323"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a39"
                           x3="11.53158"
                           xFract="0.99343372"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a40"
                           x3="12.81986"
                           xFract="0.99343285"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a41"
                           x3="6.22409"
                           xFract="0.56603276"
                           y3="0.64137"
                           yFract="0.07149976"
                           z3="5.71581"
                           zFract="0.25046726"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="8.80734"
                           xFract="0.81702973"
                           y3="0.61817"
                           yFract="0.06891343"
                           z3="5.82382"
                           zFract="0.24814463"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="7.53232"
                           xFract="0.57058086"
                           y3="2.83674"
                           yFract="0.31623903"
                           z3="5.84203"
                           zFract="0.24897705"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.08761"
                           xFract="0.81627013"
                           y3="2.86045"
                           yFract="0.31888221"
                           z3="6.06545"
                           zFract="0.2520983"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.40762"
                           xFract="0.64372207"
                           y3="1.30255"
                           yFract="0.14520793"
                           z3="7.92476"
                           zFract="0.35009901"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="9.94851"
                           xFract="0.88936156"
                           y3="1.30209"
                           yFract="0.14515665"
                           z3="8.05772"
                           zFract="0.34903702"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="8.62962"
                           xFract="0.63884138"
                           y3="3.51761"
                           yFract="0.39214224"
                           z3="8.10051"
                           zFract="0.35116006"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.25836"
                           xFract="0.89392965"
                           y3="3.49992"
                           yFract="0.39017016"
                           z3="8.33104"
                           zFract="0.35447374"/>
                     <atom elementType="Cu"
                           id="a49"
                           x3="10.35953"
                           xFract="0.66843401"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.90692"
                           zFract="0.05000395"/>
                     <atom elementType="Cu"
                           id="a50"
                           x3="11.64782"
                           xFract="0.66843411"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.0652"
                           zFract="0.05000409"/>
                     <atom elementType="Cu"
                           id="a51"
                           x3="12.9458"
                           xFract="0.91843459"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="2.0652"
                           zFract="0.05000408"/>
                     <atom elementType="Cu"
                           id="a52"
                           x3="14.23408"
                           xFract="0.91843372"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.22348"
                           zFract="0.05000424"/>
                     <atom elementType="Cu"
                           id="a53"
                           x3="11.52189"
                           xFract="0.74343333"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.1228"
                           zFract="0.15000418"/>
                     <atom elementType="Cu"
                           id="a54"
                           x3="12.81018"
                           xFract="0.74343343"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.28107"
                           zFract="0.15000385"/>
                     <atom elementType="Cu"
                           id="a55"
                           x3="14.10815"
                           xFract="0.99343294"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.28107"
                           zFract="0.15000386"/>
                     <atom elementType="Cu"
                           id="a56"
                           x3="15.39644"
                           xFract="0.99343304"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.43935"
                           zFract="0.150004"/>
                     <atom elementType="Cu"
                           id="a57"
                           x3="8.78404"
                           xFract="0.56645508"
                           y3="5.08994"
                           yFract="0.56742517"
                           z3="6.07529"
                           zFract="0.25260022"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="11.3856"
                           xFract="0.81852618"
                           y3="5.07927"
                           yFract="0.56623569"
                           z3="6.1870"
                           zFract="0.25037829"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="10.07751"
                           xFract="0.56799544"
                           y3="7.31378"
                           yFract="0.81533827"
                           z3="6.14421"
                           zFract="0.24840339"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.6980"
                           xFract="0.82147103"
                           y3="7.31077"
                           yFract="0.81500272"
                           z3="6.30448"
                           zFract="0.24840363"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.97336"
                           xFract="0.64442698"
                           y3="5.75611"
                           yFract="0.64168963"
                           z3="8.25154"
                           zFract="0.35066514"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="12.53873"
                           xFract="0.89252222"
                           y3="5.75404"
                           yFract="0.64145887"
                           z3="8.40585"
                           zFract="0.35054185"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="11.26688"
                           xFract="0.64233711"
                           y3="8.04541"
                           yFract="0.89690019"
                           z3="8.2010"
                           zFract="0.34072635"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.83757"
                           xFract="0.89321505"
                           y3="8.00249"
                           yFract="0.89211548"
                           z3="8.4643"
                           zFract="0.34579476"/>
                     <atom elementType="Br"
                           id="a65"
                           x3="3.93559"
                           xFract="0.19242361"
                           y3="3.38564"
                           yFract="0.37743026"
                           z3="9.99066"
                           zFract="0.45404494"/>
                     <atom elementType="Br"
                           id="a66"
                           x3="5.93776"
                           xFract="0.15345533"
                           y3="7.57261"
                           yFract="0.84419257"
                           z3="10.28011"
                           zFract="0.4549224"/>
                     <atom elementType="Br"
                           id="a67"
                           x3="7.96937"
                           xFract="0.5840652"
                           y3="3.3547"
                           yFract="0.37398108"
                           z3="10.22305"
                           zFract="0.45341419"/>
                     <atom elementType="Br"
                           id="a68"
                           x3="11.08692"
                           xFract="0.89912346"
                           y3="3.10796"
                           yFract="0.34647456"
                           z3="10.94075"
                           zFract="0.4786698"/>
                     <atom elementType="Br"
                           id="a69"
                           x3="11.09944"
                           xFract="0.64886161"
                           y3="7.63645"
                           yFract="0.85130944"
                           z3="10.60073"
                           zFract="0.4550388"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a3 a33" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a4 a19" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a17" order="S"/>
                     <bond atomRefs2="a4 a33" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a34" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a26" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a33" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a41" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a37" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a21" order="S"/>
                     <bond atomRefs2="a8 a26" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a34" order="S"/>
                     <bond atomRefs2="a8 a38" order="S"/>
                     <bond atomRefs2="a8 a37" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a23" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a25" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a26" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a15 a29" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a43" order="S"/>
                     <bond atomRefs2="a16 a30" order="S"/>
                     <bond atomRefs2="a16 a26" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a47" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a23" order="S"/>
                     <bond atomRefs2="a19 a34" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a26" order="S"/>
                     <bond atomRefs2="a21 a27" order="S"/>
                     <bond atomRefs2="a21 a23" order="S"/>
                     <bond atomRefs2="a22 a28" order="S"/>
                     <bond atomRefs2="a22 a24" order="S"/>
                     <bond atomRefs2="a22 a23" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a24" order="S"/>
                     <bond atomRefs2="a23 a59" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a57" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a30 a61" order="S"/>
                     <bond atomRefs2="a30 a47" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a66" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a61" order="S"/>
                     <bond atomRefs2="a33 a35" order="S"/>
                     <bond atomRefs2="a33 a34" order="S"/>
                     <bond atomRefs2="a33 a37" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a35" order="S"/>
                     <bond atomRefs2="a34 a38" order="S"/>
                     <bond atomRefs2="a34 a37" order="S"/>
                     <bond atomRefs2="a34 a36" order="S"/>
                     <bond atomRefs2="a35 a36" order="S"/>
                     <bond atomRefs2="a35 a39" order="S"/>
                     <bond atomRefs2="a35 a37" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a40" order="S"/>
                     <bond atomRefs2="a36 a39" order="S"/>
                     <bond atomRefs2="a36 a38" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a44" order="S"/>
                     <bond atomRefs2="a38 a40" order="S"/>
                     <bond atomRefs2="a38 a39" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a57" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a58" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a67" order="S"/>
                     <bond atomRefs2="a47 a57" order="S"/>
                     <bond atomRefs2="a47 a61" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a48 a68" order="S"/>
                     <bond atomRefs2="a48 a58" order="S"/>
                     <bond atomRefs2="a48 a62" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                     <bond atomRefs2="a63 a69" order="S"/>
                  </bondArray>
                  <formula concise="Br5Cu64">
                     <atomArray count="5 64" elementType="Br Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4466.463999999996</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.20">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">10.364410710831562</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">10.364412581405663</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.16843459"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.16843372"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.4184342"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.4184343"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.24343294"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.24343304"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.49343352"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.49343362"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.05284"
                           xFract="0.06636454"
                           y3="0.63762"
                           yFract="0.07108171"
                           z3="5.37238"
                           zFract="0.24920264"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="3.64532"
                           xFract="0.31801328"
                           y3="0.61875"
                           yFract="0.06897809"
                           z3="5.50794"
                           zFract="0.24814512"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="2.34534"
                           xFract="0.06755958"
                           y3="2.86599"
                           yFract="0.31949981"
                           z3="5.59553"
                           zFract="0.25227292"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.9089"
                           xFract="0.31699308"
                           y3="2.83667"
                           yFract="0.31623123"
                           z3="5.67846"
                           zFract="0.24883482"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.24517"
                           xFract="0.14455021"
                           y3="1.30518"
                           yFract="0.14550112"
                           z3="7.59466"
                           zFract="0.34942685"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="4.77876"
                           xFract="0.38957623"
                           y3="1.30306"
                           yFract="0.14526479"
                           z3="7.77442"
                           zFract="0.3505953"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="3.55695"
                           xFract="0.14863127"
                           y3="3.51514"
                           yFract="0.39186688"
                           z3="7.77849"
                           zFract="0.35061832"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.09654"
                           xFract="0.39476204"
                           y3="3.50357"
                           yFract="0.39057706"
                           z3="7.82003"
                           zFract="0.34526822"/>
                     <atom elementType="Cu"
                           id="a17"
                           x3="5.1870"
                           xFract="0.16843382"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a18"
                           x3="6.47529"
                           xFract="0.16843391"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a19"
                           x3="7.77327"
                           xFract="0.4184344"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a20"
                           x3="9.06156"
                           xFract="0.41843449"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="6.34936"
                           xFract="0.24343314"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="7.63765"
                           xFract="0.24343323"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="8.93563"
                           xFract="0.49343372"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="10.22391"
                           xFract="0.49343285"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="3.63923"
                           xFract="0.06906946"
                           y3="5.09111"
                           yFract="0.56755561"
                           z3="5.76665"
                           zFract="0.25289143"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.21366"
                           xFract="0.31772062"
                           y3="5.0948"
                           yFract="0.56796697"
                           z3="5.84312"
                           zFract="0.24906225"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.89273"
                           xFract="0.06726202"
                           y3="7.30566"
                           yFract="0.81443306"
                           z3="5.83628"
                           zFract="0.24885892"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.53681"
                           xFract="0.32311289"
                           y3="7.30094"
                           yFract="0.81390687"
                           z3="5.99936"
                           zFract="0.24892644"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.82234"
                           xFract="0.14550149"
                           y3="5.7742"
                           yFract="0.6437063"
                           z3="7.98022"
                           zFract="0.35270563"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="7.33978"
                           xFract="0.3886504"
                           y3="5.77777"
                           yFract="0.64410428"
                           z3="8.13167"
                           zFract="0.35257637"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.09522"
                           xFract="0.1417663"
                           y3="8.0572"
                           yFract="0.89821454"
                           z3="7.86726"
                           zFract="0.33989384"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.67688"
                           xFract="0.39427607"
                           y3="8.00399"
                           yFract="0.8922827"
                           z3="8.14537"
                           zFract="0.34564607"/>
                     <atom elementType="Cu"
                           id="a33"
                           x3="7.78295"
                           xFract="0.66843382"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a34"
                           x3="9.07124"
                           xFract="0.66843391"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a35"
                           x3="10.36922"
                           xFract="0.9184344"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a36"
                           x3="11.65751"
                           xFract="0.91843449"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a37"
                           x3="8.94531"
                           xFract="0.74343314"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a38"
                           x3="10.2336"
                           xFract="0.74343323"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a39"
                           x3="11.53158"
                           xFract="0.99343372"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a40"
                           x3="12.81986"
                           xFract="0.99343285"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a41"
                           x3="6.22401"
                           xFract="0.56543862"
                           y3="0.65193"
                           yFract="0.07267699"
                           z3="5.71354"
                           zFract="0.25034282"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="8.80743"
                           xFract="0.81688572"
                           y3="0.62092"
                           yFract="0.06922"
                           z3="5.82251"
                           zFract="0.24807801"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="7.53202"
                           xFract="0.57054853"
                           y3="2.8368"
                           yFract="0.31624572"
                           z3="5.84044"
                           zFract="0.24890285"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.08783"
                           xFract="0.81617867"
                           y3="2.86248"
                           yFract="0.31910852"
                           z3="6.06878"
                           zFract="0.25225128"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.41055"
                           xFract="0.64373597"
                           y3="1.3074"
                           yFract="0.14574861"
                           z3="7.93436"
                           zFract="0.35053509"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="9.94641"
                           xFract="0.88881427"
                           y3="1.30829"
                           yFract="0.14584783"
                           z3="8.06737"
                           zFract="0.34948772"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="8.63431"
                           xFract="0.63905984"
                           y3="3.52184"
                           yFract="0.3926138"
                           z3="8.08422"
                           zFract="0.3503714"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.25734"
                           xFract="0.89393323"
                           y3="3.49808"
                           yFract="0.38996504"
                           z3="8.35349"
                           zFract="0.35553826"/>
                     <atom elementType="Cu"
                           id="a49"
                           x3="10.35953"
                           xFract="0.66843401"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.90692"
                           zFract="0.05000395"/>
                     <atom elementType="Cu"
                           id="a50"
                           x3="11.64782"
                           xFract="0.66843411"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.0652"
                           zFract="0.05000409"/>
                     <atom elementType="Cu"
                           id="a51"
                           x3="12.9458"
                           xFract="0.91843459"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="2.0652"
                           zFract="0.05000408"/>
                     <atom elementType="Cu"
                           id="a52"
                           x3="14.23408"
                           xFract="0.91843372"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.22348"
                           zFract="0.05000424"/>
                     <atom elementType="Cu"
                           id="a53"
                           x3="11.52189"
                           xFract="0.74343333"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.1228"
                           zFract="0.15000418"/>
                     <atom elementType="Cu"
                           id="a54"
                           x3="12.81018"
                           xFract="0.74343343"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.28107"
                           zFract="0.15000385"/>
                     <atom elementType="Cu"
                           id="a55"
                           x3="14.10815"
                           xFract="0.99343294"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.28107"
                           zFract="0.15000386"/>
                     <atom elementType="Cu"
                           id="a56"
                           x3="15.39644"
                           xFract="0.99343304"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.43935"
                           zFract="0.150004"/>
                     <atom elementType="Cu"
                           id="a57"
                           x3="8.78207"
                           xFract="0.5662019"
                           y3="5.09107"
                           yFract="0.56755115"
                           z3="6.08059"
                           zFract="0.25285391"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="11.38498"
                           xFract="0.81852567"
                           y3="5.0782"
                           yFract="0.5661164"
                           z3="6.19096"
                           zFract="0.25056858"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="10.07317"
                           xFract="0.56785413"
                           y3="7.30877"
                           yFract="0.81477976"
                           z3="6.13532"
                           zFract="0.24800512"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.70361"
                           xFract="0.82231374"
                           y3="7.30536"
                           yFract="0.81439961"
                           z3="6.29634"
                           zFract="0.24801268"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.97585"
                           xFract="0.64465046"
                           y3="5.75642"
                           yFract="0.64172419"
                           z3="8.26435"
                           zFract="0.35126143"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="12.53511"
                           xFract="0.89217285"
                           y3="5.75403"
                           yFract="0.64145775"
                           z3="8.41808"
                           zFract="0.35112895"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="11.26889"
                           xFract="0.6423165"
                           y3="8.04928"
                           yFract="0.89733162"
                           z3="8.17403"
                           zFract="0.33944246"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.83688"
                           xFract="0.89308671"
                           y3="8.0036"
                           yFract="0.89223923"
                           z3="8.46077"
                           zFract="0.34562846"/>
                     <atom elementType="Br"
                           id="a65"
                           x3="4.01501"
                           xFract="0.19910448"
                           y3="3.40358"
                           yFract="0.3794302"
                           z3="9.96147"
                           zFract="0.45240952"/>
                     <atom elementType="Br"
                           id="a66"
                           x3="5.93982"
                           xFract="0.15458127"
                           y3="7.55592"
                           yFract="0.84233198"
                           z3="10.25316"
                           zFract="0.45367365"/>
                     <atom elementType="Br"
                           id="a67"
                           x3="7.89509"
                           xFract="0.57613751"
                           y3="3.36816"
                           yFract="0.37548159"
                           z3="10.1829"
                           zFract="0.45171299"/>
                     <atom elementType="Br"
                           id="a68"
                           x3="11.0868"
                           xFract="0.90089219"
                           y3="3.0759"
                           yFract="0.34290052"
                           z3="10.93826"
                           zFract="0.47860629"/>
                     <atom elementType="Br"
                           id="a69"
                           x3="11.09996"
                           xFract="0.64936667"
                           y3="7.62826"
                           yFract="0.85039642"
                           z3="10.57471"
                           zFract="0.45382414"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a3 a33" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a4 a19" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a17" order="S"/>
                     <bond atomRefs2="a4 a33" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a34" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a26" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a33" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a41" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a37" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a21" order="S"/>
                     <bond atomRefs2="a8 a26" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a34" order="S"/>
                     <bond atomRefs2="a8 a38" order="S"/>
                     <bond atomRefs2="a8 a37" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a23" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a25" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a26" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a15 a29" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a43" order="S"/>
                     <bond atomRefs2="a16 a30" order="S"/>
                     <bond atomRefs2="a16 a26" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a47" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a23" order="S"/>
                     <bond atomRefs2="a19 a34" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a26" order="S"/>
                     <bond atomRefs2="a21 a27" order="S"/>
                     <bond atomRefs2="a21 a23" order="S"/>
                     <bond atomRefs2="a22 a28" order="S"/>
                     <bond atomRefs2="a22 a24" order="S"/>
                     <bond atomRefs2="a22 a23" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a24" order="S"/>
                     <bond atomRefs2="a23 a59" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a57" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a30 a61" order="S"/>
                     <bond atomRefs2="a30 a47" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a66" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a61" order="S"/>
                     <bond atomRefs2="a33 a35" order="S"/>
                     <bond atomRefs2="a33 a34" order="S"/>
                     <bond atomRefs2="a33 a37" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a35" order="S"/>
                     <bond atomRefs2="a34 a38" order="S"/>
                     <bond atomRefs2="a34 a37" order="S"/>
                     <bond atomRefs2="a34 a36" order="S"/>
                     <bond atomRefs2="a35 a36" order="S"/>
                     <bond atomRefs2="a35 a39" order="S"/>
                     <bond atomRefs2="a35 a37" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a40" order="S"/>
                     <bond atomRefs2="a36 a39" order="S"/>
                     <bond atomRefs2="a36 a38" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a44" order="S"/>
                     <bond atomRefs2="a38 a40" order="S"/>
                     <bond atomRefs2="a38 a39" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a57" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a58" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a67" order="S"/>
                     <bond atomRefs2="a47 a57" order="S"/>
                     <bond atomRefs2="a47 a61" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a48 a68" order="S"/>
                     <bond atomRefs2="a48 a58" order="S"/>
                     <bond atomRefs2="a48 a62" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                     <bond atomRefs2="a63 a69" order="S"/>
                  </bondArray>
                  <formula concise="Br5Cu64">
                     <atomArray count="5 64" elementType="Br Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4466.463999999996</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.21">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">10.364410710831562</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">10.364412581405663</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.16843459"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.16843372"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.4184342"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.4184343"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.24343294"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.24343304"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.49343352"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.49343362"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.05277"
                           xFract="0.065326"
                           y3="0.6562"
                           yFract="0.073153"
                           z3="5.36395"
                           zFract="0.24877434"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="3.64436"
                           xFract="0.31763449"
                           y3="0.6239"
                           yFract="0.06955221"
                           z3="5.50532"
                           zFract="0.24801576"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="2.34305"
                           xFract="0.06708166"
                           y3="2.87061"
                           yFract="0.32001485"
                           z3="5.60231"
                           zFract="0.25259149"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.90877"
                           xFract="0.31697163"
                           y3="2.83683"
                           yFract="0.31624906"
                           z3="5.67532"
                           zFract="0.24868688"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.24804"
                           xFract="0.14415127"
                           y3="1.31736"
                           yFract="0.14685895"
                           z3="7.61416"
                           zFract="0.35031764"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="4.77172"
                           xFract="0.38843591"
                           y3="1.31134"
                           yFract="0.14618784"
                           z3="7.79285"
                           zFract="0.35147075"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="3.5546"
                           xFract="0.14802761"
                           y3="3.52192"
                           yFract="0.39262272"
                           z3="7.74689"
                           zFract="0.34912385"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.09699"
                           xFract="0.39484442"
                           y3="3.50287"
                           yFract="0.39049903"
                           z3="7.82283"
                           zFract="0.34540011"/>
                     <atom elementType="Cu"
                           id="a17"
                           x3="5.1870"
                           xFract="0.16843382"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a18"
                           x3="6.47529"
                           xFract="0.16843391"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a19"
                           x3="7.77327"
                           xFract="0.4184344"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a20"
                           x3="9.06156"
                           xFract="0.41843449"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="6.34936"
                           xFract="0.24343314"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="7.63765"
                           xFract="0.24343323"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="8.93563"
                           xFract="0.49343372"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="10.22391"
                           xFract="0.49343285"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="3.64093"
                           xFract="0.06910385"
                           y3="5.09345"
                           yFract="0.56781647"
                           z3="5.77786"
                           zFract="0.25341116"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.21254"
                           xFract="0.31763901"
                           y3="5.09432"
                           yFract="0.56791346"
                           z3="5.84538"
                           zFract="0.24917284"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.88299"
                           xFract="0.06680585"
                           y3="7.29692"
                           yFract="0.81345873"
                           z3="5.82018"
                           zFract="0.24814252"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.54898"
                           xFract="0.32483183"
                           y3="7.29117"
                           yFract="0.81281772"
                           z3="5.98489"
                           zFract="0.24822538"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.82693"
                           xFract="0.14551925"
                           y3="5.78187"
                           yFract="0.64456135"
                           z3="8.00918"
                           zFract="0.35404503"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="7.33247"
                           xFract="0.38748121"
                           y3="5.7861"
                           yFract="0.64503291"
                           z3="8.15914"
                           zFract="0.35387875"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.09881"
                           xFract="0.14144418"
                           y3="8.06925"
                           yFract="0.89955787"
                           z3="7.81504"
                           zFract="0.33740121"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.67878"
                           xFract="0.39433923"
                           y3="8.00616"
                           yFract="0.89252461"
                           z3="8.13877"
                           zFract="0.34532578"/>
                     <atom elementType="Cu"
                           id="a33"
                           x3="7.78295"
                           xFract="0.66843382"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a34"
                           x3="9.07124"
                           xFract="0.66843391"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a35"
                           x3="10.36922"
                           xFract="0.9184344"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a36"
                           x3="11.65751"
                           xFract="0.91843449"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a37"
                           x3="8.94531"
                           xFract="0.74343314"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a38"
                           x3="10.2336"
                           xFract="0.74343323"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a39"
                           x3="11.53158"
                           xFract="0.99343372"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a40"
                           x3="12.81986"
                           xFract="0.99343285"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a41"
                           x3="6.22386"
                           xFract="0.5642513"
                           y3="0.67305"
                           yFract="0.07503144"
                           z3="5.7090"
                           zFract="0.25009392"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="8.80763"
                           xFract="0.81660019"
                           y3="0.62641"
                           yFract="0.06983202"
                           z3="5.81989"
                           zFract="0.24794473"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="7.53141"
                           xFract="0.57048345"
                           y3="2.83691"
                           yFract="0.31625798"
                           z3="5.83728"
                           zFract="0.24875543"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.08827"
                           xFract="0.81599685"
                           y3="2.86652"
                           yFract="0.3195589"
                           z3="6.07545"
                           zFract="0.25255775"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.41642"
                           xFract="0.64376474"
                           y3="1.3171"
                           yFract="0.14682996"
                           z3="7.95356"
                           zFract="0.35140723"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="9.94221"
                           xFract="0.88772025"
                           y3="1.32068"
                           yFract="0.14722906"
                           z3="8.08667"
                           zFract="0.35038913"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="8.64368"
                           xFract="0.6394958"
                           y3="3.5303"
                           yFract="0.39355692"
                           z3="8.05164"
                           zFract="0.3487941"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.25531"
                           xFract="0.89394024"
                           y3="3.49442"
                           yFract="0.38955702"
                           z3="8.3984"
                           zFract="0.35766772"/>
                     <atom elementType="Cu"
                           id="a49"
                           x3="10.35953"
                           xFract="0.66843401"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.90692"
                           zFract="0.05000395"/>
                     <atom elementType="Cu"
                           id="a50"
                           x3="11.64782"
                           xFract="0.66843411"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.0652"
                           zFract="0.05000409"/>
                     <atom elementType="Cu"
                           id="a51"
                           x3="12.9458"
                           xFract="0.91843459"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="2.0652"
                           zFract="0.05000408"/>
                     <atom elementType="Cu"
                           id="a52"
                           x3="14.23408"
                           xFract="0.91843372"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.22348"
                           zFract="0.05000424"/>
                     <atom elementType="Cu"
                           id="a53"
                           x3="11.52189"
                           xFract="0.74343333"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.1228"
                           zFract="0.15000418"/>
                     <atom elementType="Cu"
                           id="a54"
                           x3="12.81018"
                           xFract="0.74343343"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.28107"
                           zFract="0.15000385"/>
                     <atom elementType="Cu"
                           id="a55"
                           x3="14.10815"
                           xFract="0.99343294"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.28107"
                           zFract="0.15000386"/>
                     <atom elementType="Cu"
                           id="a56"
                           x3="15.39644"
                           xFract="0.99343304"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.43935"
                           zFract="0.150004"/>
                     <atom elementType="Cu"
                           id="a57"
                           x3="8.77813"
                           xFract="0.56569555"
                           y3="5.09333"
                           yFract="0.56780309"
                           z3="6.09119"
                           zFract="0.25336129"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="11.38373"
                           xFract="0.81852423"
                           y3="5.07605"
                           yFract="0.56587672"
                           z3="6.19889"
                           zFract="0.25094967"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="10.0645"
                           xFract="0.56757192"
                           y3="7.29876"
                           yFract="0.81366385"
                           z3="6.11754"
                           zFract="0.24720854"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.71482"
                           xFract="0.82399931"
                           y3="7.29452"
                           yFract="0.81319117"
                           z3="6.28004"
                           zFract="0.2472299"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.98084"
                           xFract="0.64509728"
                           y3="5.75706"
                           yFract="0.64179554"
                           z3="8.28995"
                           zFract="0.35245299"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="12.52787"
                           xFract="0.89147411"
                           y3="5.75401"
                           yFract="0.64145552"
                           z3="8.44253"
                           zFract="0.35230268"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="11.27291"
                           xFract="0.64227473"
                           y3="8.05703"
                           yFract="0.89819559"
                           z3="8.1201"
                           zFract="0.33687514"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.83552"
                           xFract="0.89283197"
                           y3="8.00582"
                           yFract="0.89248671"
                           z3="8.4537"
                           zFract="0.34529533"/>
                     <atom elementType="Br"
                           id="a65"
                           x3="4.17385"
                           xFract="0.21246621"
                           y3="3.43946"
                           yFract="0.3834301"
                           z3="9.90309"
                           zFract="0.44913867"/>
                     <atom elementType="Br"
                           id="a66"
                           x3="5.94394"
                           xFract="0.15683316"
                           y3="7.52254"
                           yFract="0.83861078"
                           z3="10.19924"
                           zFract="0.45117521"/>
                     <atom elementType="Br"
                           id="a67"
                           x3="7.74651"
                           xFract="0.56027908"
                           y3="3.3951"
                           yFract="0.37848486"
                           z3="10.10259"
                           zFract="0.44831014"/>
                     <atom elementType="Br"
                           id="a68"
                           x3="11.08656"
                           xFract="0.90442964"
                           y3="3.01178"
                           yFract="0.33575244"
                           z3="10.93329"
                           zFract="0.47847974"/>
                     <atom elementType="Br"
                           id="a69"
                           x3="11.1010"
                           xFract="0.65037625"
                           y3="7.61189"
                           yFract="0.8485715"
                           z3="10.52267"
                           zFract="0.45139482"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a33" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a4 a33" order="S"/>
                     <bond atomRefs2="a4 a19" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a17" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a34" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a26" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a7 a33" order="S"/>
                     <bond atomRefs2="a7 a41" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a37" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a21" order="S"/>
                     <bond atomRefs2="a8 a26" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a34" order="S"/>
                     <bond atomRefs2="a8 a38" order="S"/>
                     <bond atomRefs2="a8 a37" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a23" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a25" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a26" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a15 a29" order="S"/>
                     <bond atomRefs2="a16 a43" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a30" order="S"/>
                     <bond atomRefs2="a16 a26" order="S"/>
                     <bond atomRefs2="a16 a47" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a23" order="S"/>
                     <bond atomRefs2="a19 a34" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a26" order="S"/>
                     <bond atomRefs2="a21 a27" order="S"/>
                     <bond atomRefs2="a21 a23" order="S"/>
                     <bond atomRefs2="a22 a28" order="S"/>
                     <bond atomRefs2="a22 a24" order="S"/>
                     <bond atomRefs2="a22 a23" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a24" order="S"/>
                     <bond atomRefs2="a23 a59" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a57" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a30 a61" order="S"/>
                     <bond atomRefs2="a30 a47" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a66" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a61" order="S"/>
                     <bond atomRefs2="a33 a35" order="S"/>
                     <bond atomRefs2="a33 a34" order="S"/>
                     <bond atomRefs2="a33 a37" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a35" order="S"/>
                     <bond atomRefs2="a34 a38" order="S"/>
                     <bond atomRefs2="a34 a37" order="S"/>
                     <bond atomRefs2="a34 a36" order="S"/>
                     <bond atomRefs2="a35 a36" order="S"/>
                     <bond atomRefs2="a35 a39" order="S"/>
                     <bond atomRefs2="a35 a37" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a40" order="S"/>
                     <bond atomRefs2="a36 a39" order="S"/>
                     <bond atomRefs2="a36 a38" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a44" order="S"/>
                     <bond atomRefs2="a38 a40" order="S"/>
                     <bond atomRefs2="a38 a39" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a57" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a58" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a57" order="S"/>
                     <bond atomRefs2="a47 a61" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a47 a67" order="S"/>
                     <bond atomRefs2="a48 a68" order="S"/>
                     <bond atomRefs2="a48 a62" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                     <bond atomRefs2="a63 a69" order="S"/>
                  </bondArray>
                  <formula concise="Br5Cu64">
                     <atomArray count="5 64" elementType="Br Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4466.463999999996</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.22">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">10.364410710831562</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">10.364412581405663</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.16843459"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.16843372"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.4184342"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.4184343"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.24343294"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.24343304"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.49343352"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.49343362"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.05275"
                           xFract="0.0649459"
                           y3="0.66301"
                           yFract="0.07391218"
                           z3="5.36086"
                           zFract="0.24861733"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="3.64401"
                           xFract="0.31749571"
                           y3="0.62579"
                           yFract="0.0697629"
                           z3="5.50437"
                           zFract="0.24796882"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="2.34222"
                           xFract="0.06690758"
                           y3="2.8723"
                           yFract="0.32020325"
                           z3="5.60479"
                           zFract="0.25270799"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.90872"
                           xFract="0.31696346"
                           y3="2.83689"
                           yFract="0.31625575"
                           z3="5.67418"
                           zFract="0.24863317"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.24909"
                           xFract="0.1440051"
                           y3="1.32182"
                           yFract="0.14735615"
                           z3="7.62131"
                           zFract="0.35064428"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="4.76915"
                           xFract="0.38801922"
                           y3="1.31437"
                           yFract="0.14652562"
                           z3="7.79959"
                           zFract="0.35179089"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="3.55374"
                           xFract="0.1478062"
                           y3="3.52441"
                           yFract="0.3929003"
                           z3="7.73531"
                           zFract="0.34857619"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.09716"
                           xFract="0.39487529"
                           y3="3.50261"
                           yFract="0.39047004"
                           z3="7.82386"
                           zFract="0.34544862"/>
                     <atom elementType="Cu"
                           id="a17"
                           x3="5.1870"
                           xFract="0.16843382"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a18"
                           x3="6.47529"
                           xFract="0.16843391"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a19"
                           x3="7.77327"
                           xFract="0.4184344"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a20"
                           x3="9.06156"
                           xFract="0.41843449"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="6.34936"
                           xFract="0.24343314"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="7.63765"
                           xFract="0.24343323"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="8.93563"
                           xFract="0.49343372"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="10.22391"
                           xFract="0.49343285"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="3.64155"
                           xFract="0.06911658"
                           y3="5.0943"
                           yFract="0.56791123"
                           z3="5.78197"
                           zFract="0.25360174"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.21213"
                           xFract="0.31760882"
                           y3="5.09415"
                           yFract="0.5678945"
                           z3="5.84621"
                           zFract="0.24921344"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.87942"
                           xFract="0.0666379"
                           y3="7.29373"
                           yFract="0.81310311"
                           z3="5.81428"
                           zFract="0.24787996"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.55343"
                           xFract="0.32546024"
                           y3="7.2876"
                           yFract="0.81241973"
                           z3="5.97958"
                           zFract="0.24796814"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.8286"
                           xFract="0.14552464"
                           y3="5.78468"
                           yFract="0.64487461"
                           z3="8.01979"
                           zFract="0.35453578"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="7.32979"
                           xFract="0.38705278"
                           y3="5.78915"
                           yFract="0.64537292"
                           z3="8.1692"
                           zFract="0.35435572"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.10012"
                           xFract="0.14132536"
                           y3="8.07367"
                           yFract="0.90005061"
                           z3="7.79592"
                           zFract="0.33648855"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.67947"
                           xFract="0.39436206"
                           y3="8.00695"
                           yFract="0.89261268"
                           z3="8.13636"
                           zFract="0.34520884"/>
                     <atom elementType="Cu"
                           id="a33"
                           x3="7.78295"
                           xFract="0.66843382"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a34"
                           x3="9.07124"
                           xFract="0.66843391"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a35"
                           x3="10.36922"
                           xFract="0.9184344"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a36"
                           x3="11.65751"
                           xFract="0.91843449"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a37"
                           x3="8.94531"
                           xFract="0.74343314"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a38"
                           x3="10.2336"
                           xFract="0.74343323"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a39"
                           x3="11.53158"
                           xFract="0.99343372"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a40"
                           x3="12.81986"
                           xFract="0.99343285"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a41"
                           x3="6.2238"
                           xFract="0.56381569"
                           y3="0.68079"
                           yFract="0.07589429"
                           z3="5.70734"
                           zFract="0.2500029"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="8.8077"
                           xFract="0.81649534"
                           y3="0.62842"
                           yFract="0.0700561"
                           z3="5.81894"
                           zFract="0.24789638"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="7.53119"
                           xFract="0.57045997"
                           y3="2.83695"
                           yFract="0.31626244"
                           z3="5.83612"
                           zFract="0.24870131"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.08843"
                           xFract="0.81593013"
                           y3="2.8680"
                           yFract="0.31972389"
                           z3="6.0779"
                           zFract="0.25267033"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.41857"
                           xFract="0.64377543"
                           y3="1.32065"
                           yFract="0.14722572"
                           z3="7.96059"
                           zFract="0.35172655"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="9.94067"
                           xFract="0.88731927"
                           y3="1.32522"
                           yFract="0.14773518"
                           z3="8.09374"
                           zFract="0.35071934"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="8.64712"
                           xFract="0.63965617"
                           y3="3.5334"
                           yFract="0.3939025"
                           z3="8.03971"
                           zFract="0.3482165"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.25457"
                           xFract="0.89394368"
                           y3="3.49307"
                           yFract="0.38940653"
                           z3="8.41484"
                           zFract="0.35844725"/>
                     <atom elementType="Cu"
                           id="a49"
                           x3="10.35953"
                           xFract="0.66843401"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.90692"
                           zFract="0.05000395"/>
                     <atom elementType="Cu"
                           id="a50"
                           x3="11.64782"
                           xFract="0.66843411"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.0652"
                           zFract="0.05000409"/>
                     <atom elementType="Cu"
                           id="a51"
                           x3="12.9458"
                           xFract="0.91843459"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="2.0652"
                           zFract="0.05000408"/>
                     <atom elementType="Cu"
                           id="a52"
                           x3="14.23408"
                           xFract="0.91843372"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.22348"
                           zFract="0.05000424"/>
                     <atom elementType="Cu"
                           id="a53"
                           x3="11.52189"
                           xFract="0.74343333"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.1228"
                           zFract="0.15000418"/>
                     <atom elementType="Cu"
                           id="a54"
                           x3="12.81018"
                           xFract="0.74343343"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.28107"
                           zFract="0.15000385"/>
                     <atom elementType="Cu"
                           id="a55"
                           x3="14.10815"
                           xFract="0.99343294"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.28107"
                           zFract="0.15000386"/>
                     <atom elementType="Cu"
                           id="a56"
                           x3="15.39644"
                           xFract="0.99343304"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.43935"
                           zFract="0.150004"/>
                     <atom elementType="Cu"
                           id="a57"
                           x3="8.77669"
                           xFract="0.56551026"
                           y3="5.09416"
                           yFract="0.56789562"
                           z3="6.09508"
                           zFract="0.25354747"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="11.38327"
                           xFract="0.81852363"
                           y3="5.07526"
                           yFract="0.56578865"
                           z3="6.20179"
                           zFract="0.25108905"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="10.06133"
                           xFract="0.56746929"
                           y3="7.29509"
                           yFract="0.81325472"
                           z3="6.11102"
                           zFract="0.2469164"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.71893"
                           xFract="0.82461651"
                           y3="7.29056"
                           yFract="0.81274971"
                           z3="6.27408"
                           zFract="0.24694364"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.98267"
                           xFract="0.6452614"
                           y3="5.75729"
                           yFract="0.64182118"
                           z3="8.29933"
                           zFract="0.35288959"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="12.52522"
                           xFract="0.89121851"
                           y3="5.7540"
                           yFract="0.64145441"
                           z3="8.45148"
                           zFract="0.35273233"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="11.27438"
                           xFract="0.64225911"
                           y3="8.05987"
                           yFract="0.89851219"
                           z3="8.10035"
                           zFract="0.33593495"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.83501"
                           xFract="0.89273769"
                           y3="8.00663"
                           yFract="0.89257701"
                           z3="8.45111"
                           zFract="0.34517333"/>
                     <atom elementType="Br"
                           id="a65"
                           x3="4.23202"
                           xFract="0.21735951"
                           y3="3.4526"
                           yFract="0.38489494"
                           z3="9.88171"
                           zFract="0.44794081"/>
                     <atom elementType="Br"
                           id="a66"
                           x3="5.94545"
                           xFract="0.15765827"
                           y3="7.51031"
                           yFract="0.83724739"
                           z3="10.1795"
                           zFract="0.45026054"/>
                     <atom elementType="Br"
                           id="a67"
                           x3="7.6921"
                           xFract="0.55447203"
                           y3="3.40496"
                           yFract="0.37958405"
                           z3="10.07319"
                           zFract="0.44706448"/>
                     <atom elementType="Br"
                           id="a68"
                           x3="11.08647"
                           xFract="0.90572481"
                           y3="2.9883"
                           yFract="0.3331349"
                           z3="10.93147"
                           zFract="0.4784334"/>
                     <atom elementType="Br"
                           id="a69"
                           x3="11.10139"
                           xFract="0.65074713"
                           y3="7.60589"
                           yFract="0.84790262"
                           z3="10.50361"
                           zFract="0.45050504"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a33" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a4 a33" order="S"/>
                     <bond atomRefs2="a4 a19" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a17" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a34" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a26" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a7 a33" order="S"/>
                     <bond atomRefs2="a7 a41" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a37" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a21" order="S"/>
                     <bond atomRefs2="a8 a26" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a34" order="S"/>
                     <bond atomRefs2="a8 a38" order="S"/>
                     <bond atomRefs2="a8 a37" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a23" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a25" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a26" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a15 a29" order="S"/>
                     <bond atomRefs2="a16 a43" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a30" order="S"/>
                     <bond atomRefs2="a16 a26" order="S"/>
                     <bond atomRefs2="a16 a47" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a23" order="S"/>
                     <bond atomRefs2="a19 a34" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a26" order="S"/>
                     <bond atomRefs2="a21 a27" order="S"/>
                     <bond atomRefs2="a21 a23" order="S"/>
                     <bond atomRefs2="a22 a28" order="S"/>
                     <bond atomRefs2="a22 a24" order="S"/>
                     <bond atomRefs2="a22 a23" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a24" order="S"/>
                     <bond atomRefs2="a23 a59" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a57" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a30 a61" order="S"/>
                     <bond atomRefs2="a30 a47" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a66" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a61" order="S"/>
                     <bond atomRefs2="a33 a35" order="S"/>
                     <bond atomRefs2="a33 a34" order="S"/>
                     <bond atomRefs2="a33 a37" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a35" order="S"/>
                     <bond atomRefs2="a34 a38" order="S"/>
                     <bond atomRefs2="a34 a37" order="S"/>
                     <bond atomRefs2="a34 a36" order="S"/>
                     <bond atomRefs2="a35 a36" order="S"/>
                     <bond atomRefs2="a35 a39" order="S"/>
                     <bond atomRefs2="a35 a37" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a40" order="S"/>
                     <bond atomRefs2="a36 a39" order="S"/>
                     <bond atomRefs2="a36 a38" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a44" order="S"/>
                     <bond atomRefs2="a38 a40" order="S"/>
                     <bond atomRefs2="a38 a39" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a57" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a58" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a57" order="S"/>
                     <bond atomRefs2="a47 a61" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a47 a67" order="S"/>
                     <bond atomRefs2="a48 a68" order="S"/>
                     <bond atomRefs2="a48 a62" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                     <bond atomRefs2="a63 a69" order="S"/>
                  </bondArray>
                  <formula concise="Br5Cu64">
                     <atomArray count="5 64" elementType="Br Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4466.463999999996</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.23">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">10.364410710831562</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">10.364412581405663</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.16843459"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.16843372"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.4184342"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.4184343"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.24343294"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.24343304"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.49343352"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.49343362"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.05304"
                           xFract="0.0648812"
                           y3="0.66468"
                           yFract="0.07409835"
                           z3="5.35804"
                           zFract="0.24848074"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="3.64294"
                           xFract="0.31742282"
                           y3="0.62524"
                           yFract="0.06970159"
                           z3="5.50819"
                           zFract="0.24815294"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="2.34078"
                           xFract="0.06670841"
                           y3="2.87338"
                           yFract="0.32032365"
                           z3="5.60398"
                           zFract="0.25267215"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.91026"
                           xFract="0.31700793"
                           y3="2.83877"
                           yFract="0.31646533"
                           z3="5.67415"
                           zFract="0.24862418"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.24663"
                           xFract="0.14385726"
                           y3="1.3202"
                           yFract="0.14717555"
                           z3="7.62064"
                           zFract="0.3506225"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="4.77046"
                           xFract="0.38827691"
                           y3="1.31201"
                           yFract="0.14626253"
                           z3="7.79749"
                           zFract="0.35169204"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="3.54666"
                           xFract="0.146958"
                           y3="3.52736"
                           yFract="0.39322917"
                           z3="7.72403"
                           zFract="0.34805984"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.0970"
                           xFract="0.3947954"
                           y3="3.50377"
                           yFract="0.39059936"
                           z3="7.82817"
                           zFract="0.34565036"/>
                     <atom elementType="Cu"
                           id="a17"
                           x3="5.1870"
                           xFract="0.16843382"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a18"
                           x3="6.47529"
                           xFract="0.16843391"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a19"
                           x3="7.77327"
                           xFract="0.4184344"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a20"
                           x3="9.06156"
                           xFract="0.41843449"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="6.34936"
                           xFract="0.24343314"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="7.63765"
                           xFract="0.24343323"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="8.93563"
                           xFract="0.49343372"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="10.22391"
                           xFract="0.49343285"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="3.64085"
                           xFract="0.06906446"
                           y3="5.09402"
                           yFract="0.56788001"
                           z3="5.78115"
                           zFract="0.25356556"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.21207"
                           xFract="0.31761302"
                           y3="5.09397"
                           yFract="0.56787444"
                           z3="5.84866"
                           zFract="0.24932943"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.88182"
                           xFract="0.06683603"
                           y3="7.29434"
                           yFract="0.81317111"
                           z3="5.81286"
                           zFract="0.24780507"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.55115"
                           xFract="0.32518875"
                           y3="7.28852"
                           yFract="0.8125223"
                           z3="5.97772"
                           zFract="0.24788548"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.82615"
                           xFract="0.14517342"
                           y3="5.78674"
                           yFract="0.64510426"
                           z3="8.01951"
                           zFract="0.3545262"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="7.33242"
                           xFract="0.38720427"
                           y3="5.7910"
                           yFract="0.64557916"
                           z3="8.16901"
                           zFract="0.35433608"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.09943"
                           xFract="0.14126977"
                           y3="8.07347"
                           yFract="0.90002832"
                           z3="7.80469"
                           zFract="0.33690437"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.67971"
                           xFract="0.39431585"
                           y3="8.0082"
                           yFract="0.89275203"
                           z3="8.13608"
                           zFract="0.34519286"/>
                     <atom elementType="Cu"
                           id="a33"
                           x3="7.78295"
                           xFract="0.66843382"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a34"
                           x3="9.07124"
                           xFract="0.66843391"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a35"
                           x3="10.36922"
                           xFract="0.9184344"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a36"
                           x3="11.65751"
                           xFract="0.91843449"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a37"
                           x3="8.94531"
                           xFract="0.74343314"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a38"
                           x3="10.2336"
                           xFract="0.74343323"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a39"
                           x3="11.53158"
                           xFract="0.99343372"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a40"
                           x3="12.81986"
                           xFract="0.99343285"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a41"
                           x3="6.22411"
                           xFract="0.56381234"
                           y3="0.68139"
                           yFract="0.07596118"
                           z3="5.70409"
                           zFract="0.24984777"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="8.80834"
                           xFract="0.8165983"
                           y3="0.62768"
                           yFract="0.0699736"
                           z3="5.82303"
                           zFract="0.24808861"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="7.52983"
                           xFract="0.57022022"
                           y3="2.8389"
                           yFract="0.31647983"
                           z3="5.83571"
                           zFract="0.24868265"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.09022"
                           xFract="0.81603542"
                           y3="2.86922"
                           yFract="0.31985989"
                           z3="6.07699"
                           zFract="0.25262023"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.41761"
                           xFract="0.64380481"
                           y3="1.31845"
                           yFract="0.14698046"
                           z3="7.95859"
                           zFract="0.3516387"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="9.94331"
                           xFract="0.88768275"
                           y3="1.32327"
                           yFract="0.14751779"
                           z3="8.09348"
                           zFract="0.35070272"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="8.65528"
                           xFract="0.64026282"
                           y3="3.53668"
                           yFract="0.39426816"
                           z3="8.02925"
                           zFract="0.34769429"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.25427"
                           xFract="0.89390913"
                           y3="3.49317"
                           yFract="0.38941767"
                           z3="8.42204"
                           zFract="0.35878743"/>
                     <atom elementType="Cu"
                           id="a49"
                           x3="10.35953"
                           xFract="0.66843401"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.90692"
                           zFract="0.05000395"/>
                     <atom elementType="Cu"
                           id="a50"
                           x3="11.64782"
                           xFract="0.66843411"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.0652"
                           zFract="0.05000409"/>
                     <atom elementType="Cu"
                           id="a51"
                           x3="12.9458"
                           xFract="0.91843459"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="2.0652"
                           zFract="0.05000408"/>
                     <atom elementType="Cu"
                           id="a52"
                           x3="14.23408"
                           xFract="0.91843372"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.22348"
                           zFract="0.05000424"/>
                     <atom elementType="Cu"
                           id="a53"
                           x3="11.52189"
                           xFract="0.74343333"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.1228"
                           zFract="0.15000418"/>
                     <atom elementType="Cu"
                           id="a54"
                           x3="12.81018"
                           xFract="0.74343343"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.28107"
                           zFract="0.15000385"/>
                     <atom elementType="Cu"
                           id="a55"
                           x3="14.10815"
                           xFract="0.99343294"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.28107"
                           zFract="0.15000386"/>
                     <atom elementType="Cu"
                           id="a56"
                           x3="15.39644"
                           xFract="0.99343304"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.43935"
                           zFract="0.150004"/>
                     <atom elementType="Cu"
                           id="a57"
                           x3="8.77772"
                           xFract="0.56562482"
                           y3="5.09389"
                           yFract="0.56786552"
                           z3="6.09425"
                           zFract="0.25350582"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="11.38309"
                           xFract="0.81853622"
                           y3="5.07472"
                           yFract="0.56572845"
                           z3="6.20529"
                           zFract="0.2512555"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="10.06339"
                           xFract="0.56765565"
                           y3="7.29532"
                           yFract="0.81328036"
                           z3="6.11028"
                           zFract="0.24687518"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.71692"
                           xFract="0.824405"
                           y3="7.29087"
                           yFract="0.81278427"
                           z3="6.27309"
                           zFract="0.24690224"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.98215"
                           xFract="0.64511285"
                           y3="5.75906"
                           yFract="0.6420185"
                           z3="8.29834"
                           zFract="0.35284145"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="12.52604"
                           xFract="0.89120781"
                           y3="5.75562"
                           yFract="0.64163501"
                           z3="8.4506"
                           zFract="0.35268577"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="11.27377"
                           xFract="0.64223736"
                           y3="8.0592"
                           yFract="0.8984375"
                           z3="8.1101"
                           zFract="0.33639754"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.8352"
                           xFract="0.89268276"
                           y3="8.00795"
                           yFract="0.89272416"
                           z3="8.45071"
                           zFract="0.34515172"/>
                     <atom elementType="Br"
                           id="a65"
                           x3="4.24721"
                           xFract="0.21868791"
                           y3="3.45512"
                           yFract="0.38517587"
                           z3="9.88691"
                           zFract="0.44813795"/>
                     <atom elementType="Br"
                           id="a66"
                           x3="5.94583"
                           xFract="0.15801986"
                           y3="7.50446"
                           yFract="0.83659523"
                           z3="10.17234"
                           zFract="0.44993163"/>
                     <atom elementType="Br"
                           id="a67"
                           x3="7.67567"
                           xFract="0.55282275"
                           y3="3.40606"
                           yFract="0.37970667"
                           z3="10.07644"
                           zFract="0.44726329"/>
                     <atom elementType="Br"
                           id="a68"
                           x3="11.08758"
                           xFract="0.90612143"
                           y3="2.98309"
                           yFract="0.33255409"
                           z3="10.91881"
                           zFract="0.47784199"/>
                     <atom elementType="Br"
                           id="a69"
                           x3="11.10152"
                           xFract="0.65092907"
                           y3="7.60284"
                           yFract="0.84756261"
                           z3="10.49716"
                           zFract="0.45020564"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a33" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a4 a33" order="S"/>
                     <bond atomRefs2="a4 a19" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a17" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a34" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a26" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a7 a33" order="S"/>
                     <bond atomRefs2="a7 a41" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a37" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a21" order="S"/>
                     <bond atomRefs2="a8 a26" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a34" order="S"/>
                     <bond atomRefs2="a8 a38" order="S"/>
                     <bond atomRefs2="a8 a37" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a23" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a25" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a26" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a15 a29" order="S"/>
                     <bond atomRefs2="a16 a43" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a30" order="S"/>
                     <bond atomRefs2="a16 a26" order="S"/>
                     <bond atomRefs2="a16 a47" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a23" order="S"/>
                     <bond atomRefs2="a19 a34" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a26" order="S"/>
                     <bond atomRefs2="a21 a27" order="S"/>
                     <bond atomRefs2="a21 a23" order="S"/>
                     <bond atomRefs2="a22 a28" order="S"/>
                     <bond atomRefs2="a22 a24" order="S"/>
                     <bond atomRefs2="a22 a23" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a24" order="S"/>
                     <bond atomRefs2="a23 a59" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a57" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a30 a61" order="S"/>
                     <bond atomRefs2="a30 a47" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a66" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a61" order="S"/>
                     <bond atomRefs2="a33 a35" order="S"/>
                     <bond atomRefs2="a33 a34" order="S"/>
                     <bond atomRefs2="a33 a37" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a35" order="S"/>
                     <bond atomRefs2="a34 a38" order="S"/>
                     <bond atomRefs2="a34 a37" order="S"/>
                     <bond atomRefs2="a34 a36" order="S"/>
                     <bond atomRefs2="a35 a36" order="S"/>
                     <bond atomRefs2="a35 a39" order="S"/>
                     <bond atomRefs2="a35 a37" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a40" order="S"/>
                     <bond atomRefs2="a36 a39" order="S"/>
                     <bond atomRefs2="a36 a38" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a44" order="S"/>
                     <bond atomRefs2="a38 a40" order="S"/>
                     <bond atomRefs2="a38 a39" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a57" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a58" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a57" order="S"/>
                     <bond atomRefs2="a47 a61" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a47 a67" order="S"/>
                     <bond atomRefs2="a48 a68" order="S"/>
                     <bond atomRefs2="a48 a62" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                     <bond atomRefs2="a63 a69" order="S"/>
                  </bondArray>
                  <formula concise="Br5Cu64">
                     <atomArray count="5 64" elementType="Br Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4466.463999999996</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.24">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">10.364410710831562</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">10.364412581405663</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.16843459"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.16843372"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.4184342"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.4184343"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.24343294"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.24343304"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.49343352"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.49343362"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.05389"
                           xFract="0.06468515"
                           y3="0.66969"
                           yFract="0.07465687"
                           z3="5.34957"
                           zFract="0.24807057"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="3.63975"
                           xFract="0.31720664"
                           y3="0.62358"
                           yFract="0.06951653"
                           z3="5.51965"
                           zFract="0.24870525"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="2.33648"
                           xFract="0.0661145"
                           y3="2.87659"
                           yFract="0.3206815"
                           z3="5.60155"
                           zFract="0.25256462"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.91489"
                           xFract="0.31714118"
                           y3="2.84443"
                           yFract="0.31709631"
                           z3="5.67409"
                           zFract="0.24859853"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.23925"
                           xFract="0.1434132"
                           y3="1.31535"
                           yFract="0.14663487"
                           z3="7.61864"
                           zFract="0.35055759"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="4.77438"
                           xFract="0.38904955"
                           y3="1.30492"
                           yFract="0.14547214"
                           z3="7.79118"
                           zFract="0.35139505"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="3.52544"
                           xFract="0.14441477"
                           y3="3.53622"
                           yFract="0.39421688"
                           z3="7.69018"
                           zFract="0.34651026"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.0965"
                           xFract="0.39455271"
                           y3="3.50727"
                           yFract="0.39098954"
                           z3="7.84112"
                           zFract="0.34625654"/>
                     <atom elementType="Cu"
                           id="a17"
                           x3="5.1870"
                           xFract="0.16843382"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a18"
                           x3="6.47529"
                           xFract="0.16843391"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a19"
                           x3="7.77327"
                           xFract="0.4184344"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a20"
                           x3="9.06156"
                           xFract="0.41843449"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="6.34936"
                           xFract="0.24343314"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="7.63765"
                           xFract="0.24343323"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="8.93563"
                           xFract="0.49343372"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="10.22391"
                           xFract="0.49343285"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="3.63878"
                           xFract="0.06891212"
                           y3="5.09316"
                           yFract="0.56778414"
                           z3="5.77868"
                           zFract="0.25345651"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.21186"
                           xFract="0.31762215"
                           y3="5.09344"
                           yFract="0.56781535"
                           z3="5.85602"
                           zFract="0.24967794"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.88902"
                           xFract="0.06742983"
                           y3="7.29618"
                           yFract="0.81337623"
                           z3="5.80859"
                           zFract="0.24757989"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.54429"
                           xFract="0.32437126"
                           y3="7.2913"
                           yFract="0.81283221"
                           z3="5.97211"
                           zFract="0.24763613"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.81881"
                           xFract="0.14412016"
                           y3="5.79293"
                           yFract="0.64579432"
                           z3="8.01866"
                           zFract="0.35449697"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="7.34032"
                           xFract="0.38765861"
                           y3="5.79657"
                           yFract="0.6462001"
                           z3="8.16846"
                           zFract="0.35427805"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.09735"
                           xFract="0.14110203"
                           y3="8.07287"
                           yFract="0.89996143"
                           z3="7.8310"
                           zFract="0.33815188"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.68044"
                           xFract="0.39417817"
                           y3="8.01195"
                           yFract="0.89317008"
                           z3="8.13524"
                           zFract="0.34514488"/>
                     <atom elementType="Cu"
                           id="a33"
                           x3="7.78295"
                           xFract="0.66843382"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a34"
                           x3="9.07124"
                           xFract="0.66843391"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a35"
                           x3="10.36922"
                           xFract="0.9184344"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a36"
                           x3="11.65751"
                           xFract="0.91843449"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a37"
                           x3="8.94531"
                           xFract="0.74343314"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a38"
                           x3="10.2336"
                           xFract="0.74343323"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a39"
                           x3="11.53158"
                           xFract="0.99343372"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a40"
                           x3="12.81986"
                           xFract="0.99343285"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a41"
                           x3="6.22505"
                           xFract="0.56380269"
                           y3="0.6832"
                           yFract="0.07616296"
                           z3="5.69434"
                           zFract="0.24938232"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="8.81028"
                           xFract="0.81690855"
                           y3="0.62547"
                           yFract="0.06972723"
                           z3="5.83532"
                           zFract="0.24866618"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="7.52574"
                           xFract="0.5695"
                           y3="2.84475"
                           yFract="0.31713198"
                           z3="5.8345"
                           zFract="0.24862763"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.09559"
                           xFract="0.81635126"
                           y3="2.87288"
                           yFract="0.32026791"
                           z3="6.07426"
                           zFract="0.2524699"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.41471"
                           xFract="0.64389098"
                           y3="1.31185"
                           yFract="0.14624469"
                           z3="7.95261"
                           zFract="0.35137614"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="9.95125"
                           xFract="0.88877568"
                           y3="1.31741"
                           yFract="0.14686452"
                           z3="8.09268"
                           zFract="0.35065188"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="8.67976"
                           xFract="0.64208329"
                           y3="3.54651"
                           yFract="0.395364"
                           z3="7.99788"
                           zFract="0.34612815"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.25336"
                           xFract="0.89380395"
                           y3="3.49348"
                           yFract="0.38945223"
                           z3="8.44362"
                           zFract="0.35980702"/>
                     <atom elementType="Cu"
                           id="a49"
                           x3="10.35953"
                           xFract="0.66843401"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.90692"
                           zFract="0.05000395"/>
                     <atom elementType="Cu"
                           id="a50"
                           x3="11.64782"
                           xFract="0.66843411"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.0652"
                           zFract="0.05000409"/>
                     <atom elementType="Cu"
                           id="a51"
                           x3="12.9458"
                           xFract="0.91843459"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="2.0652"
                           zFract="0.05000408"/>
                     <atom elementType="Cu"
                           id="a52"
                           x3="14.23408"
                           xFract="0.91843372"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.22348"
                           zFract="0.05000424"/>
                     <atom elementType="Cu"
                           id="a53"
                           x3="11.52189"
                           xFract="0.74343333"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.1228"
                           zFract="0.15000418"/>
                     <atom elementType="Cu"
                           id="a54"
                           x3="12.81018"
                           xFract="0.74343343"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.28107"
                           zFract="0.15000385"/>
                     <atom elementType="Cu"
                           id="a55"
                           x3="14.10815"
                           xFract="0.99343294"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.28107"
                           zFract="0.15000386"/>
                     <atom elementType="Cu"
                           id="a56"
                           x3="15.39644"
                           xFract="0.99343304"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.43935"
                           zFract="0.150004"/>
                     <atom elementType="Cu"
                           id="a57"
                           x3="8.78081"
                           xFract="0.56596793"
                           y3="5.09309"
                           yFract="0.56777634"
                           z3="6.09179"
                           zFract="0.25338225"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="11.38256"
                           xFract="0.81857495"
                           y3="5.0731"
                           yFract="0.56554786"
                           z3="6.2158"
                           zFract="0.25175527"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="10.06958"
                           xFract="0.56821568"
                           y3="7.29601"
                           yFract="0.81335728"
                           z3="6.10807"
                           zFract="0.24675196"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.71087"
                           xFract="0.82376687"
                           y3="7.29183"
                           yFract="0.81289129"
                           z3="6.27013"
                           zFract="0.24677853"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.98057"
                           xFract="0.6446658"
                           y3="5.76436"
                           yFract="0.64260934"
                           z3="8.29538"
                           zFract="0.3526976"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="12.5285"
                           xFract="0.89117628"
                           y3="5.76047"
                           yFract="0.64217568"
                           z3="8.44795"
                           zFract="0.35254563"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="11.27195"
                           xFract="0.64217138"
                           y3="8.05722"
                           yFract="0.89821677"
                           z3="8.13934"
                           zFract="0.33778475"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.83574"
                           xFract="0.89251505"
                           y3="8.01191"
                           yFract="0.89316562"
                           z3="8.44953"
                           zFract="0.34508791"/>
                     <atom elementType="Br"
                           id="a65"
                           x3="4.29279"
                           xFract="0.22267351"
                           y3="3.46269"
                           yFract="0.38601977"
                           z3="9.90252"
                           zFract="0.44872979"/>
                     <atom elementType="Br"
                           id="a66"
                           x3="5.94697"
                           xFract="0.15910518"
                           y3="7.4869"
                           yFract="0.83463765"
                           z3="10.15086"
                           zFract="0.44894489"/>
                     <atom elementType="Br"
                           id="a67"
                           x3="7.62638"
                           xFract="0.54787545"
                           y3="3.40935"
                           yFract="0.38007344"
                           z3="10.08618"
                           zFract="0.44785925"/>
                     <atom elementType="Br"
                           id="a68"
                           x3="11.0909"
                           xFract="0.90730975"
                           y3="2.96747"
                           yFract="0.33081278"
                           z3="10.88085"
                           zFract="0.47606869"/>
                     <atom elementType="Br"
                           id="a69"
                           x3="11.10194"
                           xFract="0.65147667"
                           y3="7.59371"
                           yFract="0.8465448"
                           z3="10.47779"
                           zFract="0.44930639"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a33" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a4 a33" order="S"/>
                     <bond atomRefs2="a4 a19" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a17" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a34" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a26" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a7 a33" order="S"/>
                     <bond atomRefs2="a7 a41" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a37" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a21" order="S"/>
                     <bond atomRefs2="a8 a26" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a34" order="S"/>
                     <bond atomRefs2="a8 a38" order="S"/>
                     <bond atomRefs2="a8 a37" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a23" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a25" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a26" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a15 a29" order="S"/>
                     <bond atomRefs2="a16 a43" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a30" order="S"/>
                     <bond atomRefs2="a16 a26" order="S"/>
                     <bond atomRefs2="a16 a47" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a23" order="S"/>
                     <bond atomRefs2="a19 a34" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a26" order="S"/>
                     <bond atomRefs2="a21 a27" order="S"/>
                     <bond atomRefs2="a21 a23" order="S"/>
                     <bond atomRefs2="a22 a28" order="S"/>
                     <bond atomRefs2="a22 a24" order="S"/>
                     <bond atomRefs2="a22 a23" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a24" order="S"/>
                     <bond atomRefs2="a23 a59" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a57" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a30 a61" order="S"/>
                     <bond atomRefs2="a30 a47" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a66" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a61" order="S"/>
                     <bond atomRefs2="a33 a35" order="S"/>
                     <bond atomRefs2="a33 a34" order="S"/>
                     <bond atomRefs2="a33 a37" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a35" order="S"/>
                     <bond atomRefs2="a34 a38" order="S"/>
                     <bond atomRefs2="a34 a37" order="S"/>
                     <bond atomRefs2="a34 a36" order="S"/>
                     <bond atomRefs2="a35 a36" order="S"/>
                     <bond atomRefs2="a35 a39" order="S"/>
                     <bond atomRefs2="a35 a37" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a40" order="S"/>
                     <bond atomRefs2="a36 a39" order="S"/>
                     <bond atomRefs2="a36 a38" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a44" order="S"/>
                     <bond atomRefs2="a38 a40" order="S"/>
                     <bond atomRefs2="a38 a39" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a57" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a58" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a57" order="S"/>
                     <bond atomRefs2="a47 a61" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a47 a67" order="S"/>
                     <bond atomRefs2="a48 a68" order="S"/>
                     <bond atomRefs2="a48 a62" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                     <bond atomRefs2="a63 a69" order="S"/>
                  </bondArray>
                  <formula concise="Br5Cu64">
                     <atomArray count="5 64" elementType="Br Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4466.463999999996</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.25">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">10.364410710831562</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">10.364412581405663</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.16843459"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.16843372"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.4184342"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.4184343"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.24343294"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.24343304"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.49343352"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.49343362"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.0556"
                           xFract="0.06429347"
                           y3="0.67972"
                           yFract="0.07577501"
                           z3="5.33263"
                           zFract="0.24725017"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="3.63335"
                           xFract="0.31677235"
                           y3="0.62026"
                           yFract="0.06914642"
                           z3="5.54256"
                           zFract="0.24980946"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="2.32787"
                           xFract="0.0649246"
                           y3="2.88303"
                           yFract="0.32139943"
                           z3="5.5967"
                           zFract="0.25235004"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.92416"
                           xFract="0.3174092"
                           y3="2.85574"
                           yFract="0.31835715"
                           z3="5.67396"
                           zFract="0.24854677"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.22449"
                           xFract="0.14252509"
                           y3="1.30565"
                           yFract="0.14555352"
                           z3="7.61463"
                           zFract="0.35042731"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="4.78222"
                           xFract="0.39059539"
                           y3="1.29073"
                           yFract="0.14389024"
                           z3="7.77857"
                           zFract="0.35080157"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="3.48299"
                           xFract="0.1393268"
                           y3="3.55395"
                           yFract="0.39619341"
                           z3="7.62248"
                           zFract="0.34341111"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.09551"
                           xFract="0.39406941"
                           y3="3.51425"
                           yFract="0.39176767"
                           z3="7.86702"
                           zFract="0.34746892"/>
                     <atom elementType="Cu"
                           id="a17"
                           x3="5.1870"
                           xFract="0.16843382"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a18"
                           x3="6.47529"
                           xFract="0.16843391"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a19"
                           x3="7.77327"
                           xFract="0.4184344"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a20"
                           x3="9.06156"
                           xFract="0.41843449"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="6.34936"
                           xFract="0.24343314"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="7.63765"
                           xFract="0.24343323"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="8.93563"
                           xFract="0.49343372"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="10.22391"
                           xFract="0.49343285"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="3.63463"
                           xFract="0.06860648"
                           y3="5.09144"
                           yFract="0.56759239"
                           z3="5.77376"
                           zFract="0.25323938"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.21145"
                           xFract="0.31764138"
                           y3="5.09238"
                           yFract="0.56769719"
                           z3="5.87073"
                           zFract="0.25037447"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.90341"
                           xFract="0.06861648"
                           y3="7.29986"
                           yFract="0.81378648"
                           z3="5.80005"
                           zFract="0.24712956"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.53058"
                           xFract="0.32273779"
                           y3="7.29685"
                           yFract="0.81345092"
                           z3="5.96091"
                           zFract="0.24713834"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.80411"
                           xFract="0.14201172"
                           y3="5.80531"
                           yFract="0.64717443"
                           z3="8.01697"
                           zFract="0.35443903"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="7.35612"
                           xFract="0.38856785"
                           y3="5.8077"
                           yFract="0.64744087"
                           z3="8.16736"
                           zFract="0.35416201"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.09321"
                           xFract="0.14076792"
                           y3="8.07168"
                           yFract="0.89982877"
                           z3="7.88362"
                           zFract="0.34064683"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.68188"
                           xFract="0.39390144"
                           y3="8.01944"
                           yFract="0.89400507"
                           z3="8.13355"
                           zFract="0.34504853"/>
                     <atom elementType="Cu"
                           id="a33"
                           x3="7.78295"
                           xFract="0.66843382"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a34"
                           x3="9.07124"
                           xFract="0.66843391"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a35"
                           x3="10.36922"
                           xFract="0.9184344"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a36"
                           x3="11.65751"
                           xFract="0.91843449"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a37"
                           x3="8.94531"
                           xFract="0.74343314"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a38"
                           x3="10.2336"
                           xFract="0.74343323"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a39"
                           x3="11.53158"
                           xFract="0.99343372"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a40"
                           x3="12.81986"
                           xFract="0.99343285"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a41"
                           x3="6.22693"
                           xFract="0.56378284"
                           y3="0.68683"
                           yFract="0.07656763"
                           z3="5.67485"
                           zFract="0.24845189"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="8.81414"
                           xFract="0.81752657"
                           y3="0.62106"
                           yFract="0.06923561"
                           z3="5.85989"
                           zFract="0.24982087"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="7.51756"
                           xFract="0.56806068"
                           y3="2.85643"
                           yFract="0.31843407"
                           z3="5.83208"
                           zFract="0.24851762"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.10633"
                           xFract="0.81698239"
                           y3="2.88021"
                           yFract="0.32108505"
                           z3="6.0688"
                           zFract="0.25216923"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.40892"
                           xFract="0.64406431"
                           y3="1.29865"
                           yFract="0.14477316"
                           z3="7.94064"
                           zFract="0.35085051"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="9.96712"
                           xFract="0.89096057"
                           y3="1.30569"
                           yFract="0.14555798"
                           z3="8.09108"
                           zFract="0.35055022"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="8.72873"
                           xFract="0.64572521"
                           y3="3.56617"
                           yFract="0.3975557"
                           z3="7.93513"
                           zFract="0.34299538"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.25155"
                           xFract="0.89359567"
                           y3="3.49408"
                           yFract="0.38951912"
                           z3="8.4868"
                           zFract="0.36184716"/>
                     <atom elementType="Cu"
                           id="a49"
                           x3="10.35953"
                           xFract="0.66843401"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.90692"
                           zFract="0.05000395"/>
                     <atom elementType="Cu"
                           id="a50"
                           x3="11.64782"
                           xFract="0.66843411"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.0652"
                           zFract="0.05000409"/>
                     <atom elementType="Cu"
                           id="a51"
                           x3="12.9458"
                           xFract="0.91843459"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="2.0652"
                           zFract="0.05000408"/>
                     <atom elementType="Cu"
                           id="a52"
                           x3="14.23408"
                           xFract="0.91843372"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.22348"
                           zFract="0.05000424"/>
                     <atom elementType="Cu"
                           id="a53"
                           x3="11.52189"
                           xFract="0.74343333"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.1228"
                           zFract="0.15000418"/>
                     <atom elementType="Cu"
                           id="a54"
                           x3="12.81018"
                           xFract="0.74343343"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.28107"
                           zFract="0.15000385"/>
                     <atom elementType="Cu"
                           id="a55"
                           x3="14.10815"
                           xFract="0.99343294"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.28107"
                           zFract="0.15000386"/>
                     <atom elementType="Cu"
                           id="a56"
                           x3="15.39644"
                           xFract="0.99343304"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.43935"
                           zFract="0.150004"/>
                     <atom elementType="Cu"
                           id="a57"
                           x3="8.78699"
                           xFract="0.56665417"
                           y3="5.09149"
                           yFract="0.56759797"
                           z3="6.08685"
                           zFract="0.25313417"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="11.3815"
                           xFract="0.8186524"
                           y3="5.06986"
                           yFract="0.56518666"
                           z3="6.23681"
                           zFract="0.25275436"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="10.08196"
                           xFract="0.56933576"
                           y3="7.29739"
                           yFract="0.81351112"
                           z3="6.10364"
                           zFract="0.24650506"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.69879"
                           xFract="0.82249365"
                           y3="7.29373"
                           yFract="0.81310311"
                           z3="6.26421"
                           zFract="0.24653109"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.97741"
                           xFract="0.64377116"
                           y3="5.77497"
                           yFract="0.64379214"
                           z3="8.28945"
                           zFract="0.3524094"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="12.53343"
                           xFract="0.89111418"
                           y3="5.77017"
                           yFract="0.64325704"
                           z3="8.44265"
                           zFract="0.35226531"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="11.26832"
                           xFract="0.64204039"
                           y3="8.05326"
                           yFract="0.89777531"
                           z3="8.19784"
                           zFract="0.34056009"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.83683"
                           xFract="0.89218117"
                           y3="8.01982"
                           yFract="0.89404743"
                           z3="8.44716"
                           zFract="0.34495981"/>
                     <atom elementType="Br"
                           id="a65"
                           x3="4.38393"
                           xFract="0.23064222"
                           y3="3.47784"
                           yFract="0.38770869"
                           z3="9.93373"
                           zFract="0.44991304"/>
                     <atom elementType="Br"
                           id="a66"
                           x3="5.94924"
                           xFract="0.16127486"
                           y3="7.45178"
                           yFract="0.83072248"
                           z3="10.1079"
                           zFract="0.44697145"/>
                     <atom elementType="Br"
                           id="a67"
                           x3="7.52779"
                           xFract="0.5379799"
                           y3="3.41593"
                           yFract="0.38080698"
                           z3="10.10568"
                           zFract="0.44905216"/>
                     <atom elementType="Br"
                           id="a68"
                           x3="11.09756"
                           xFract="0.90968833"
                           y3="2.93623"
                           yFract="0.32733015"
                           z3="10.80492"
                           zFract="0.47252158"/>
                     <atom elementType="Br"
                           id="a69"
                           x3="11.10277"
                           xFract="0.65257145"
                           y3="7.57544"
                           yFract="0.84450806"
                           z3="10.43907"
                           zFract="0.44750888"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a33" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a4 a33" order="S"/>
                     <bond atomRefs2="a4 a19" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a17" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a34" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a26" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a7 a33" order="S"/>
                     <bond atomRefs2="a7 a41" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a37" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a21" order="S"/>
                     <bond atomRefs2="a8 a26" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a34" order="S"/>
                     <bond atomRefs2="a8 a38" order="S"/>
                     <bond atomRefs2="a8 a37" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a23" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a25" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a26" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a15 a29" order="S"/>
                     <bond atomRefs2="a16 a43" order="S"/>
                     <bond atomRefs2="a16 a67" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a30" order="S"/>
                     <bond atomRefs2="a16 a26" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a47" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a23" order="S"/>
                     <bond atomRefs2="a19 a34" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a26" order="S"/>
                     <bond atomRefs2="a21 a27" order="S"/>
                     <bond atomRefs2="a21 a23" order="S"/>
                     <bond atomRefs2="a22 a28" order="S"/>
                     <bond atomRefs2="a22 a24" order="S"/>
                     <bond atomRefs2="a22 a23" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a24" order="S"/>
                     <bond atomRefs2="a23 a59" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a57" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a30 a61" order="S"/>
                     <bond atomRefs2="a30 a47" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a66" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a61" order="S"/>
                     <bond atomRefs2="a33 a35" order="S"/>
                     <bond atomRefs2="a33 a34" order="S"/>
                     <bond atomRefs2="a33 a37" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a35" order="S"/>
                     <bond atomRefs2="a34 a38" order="S"/>
                     <bond atomRefs2="a34 a37" order="S"/>
                     <bond atomRefs2="a34 a36" order="S"/>
                     <bond atomRefs2="a35 a36" order="S"/>
                     <bond atomRefs2="a35 a39" order="S"/>
                     <bond atomRefs2="a35 a37" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a40" order="S"/>
                     <bond atomRefs2="a36 a39" order="S"/>
                     <bond atomRefs2="a36 a38" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a44" order="S"/>
                     <bond atomRefs2="a38 a40" order="S"/>
                     <bond atomRefs2="a38 a39" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a57" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a58" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a57" order="S"/>
                     <bond atomRefs2="a47 a61" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a47 a67" order="S"/>
                     <bond atomRefs2="a48 a68" order="S"/>
                     <bond atomRefs2="a48 a62" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                     <bond atomRefs2="a63 a69" order="S"/>
                  </bondArray>
                  <formula concise="Br5Cu64">
                     <atomArray count="5 64" elementType="Br Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4466.463999999996</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.26">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">10.364410710831562</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">10.364412581405663</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.16843459"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.16843372"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.4184342"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.4184343"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.24343294"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.24343304"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.49343352"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.49343362"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.0547"
                           xFract="0.06449857"
                           y3="0.67446"
                           yFract="0.07518862"
                           z3="5.34152"
                           zFract="0.24768071"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="3.63671"
                           xFract="0.31700052"
                           y3="0.6220"
                           yFract="0.0693404"
                           z3="5.53054"
                           zFract="0.24923012"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="2.33238"
                           xFract="0.06554825"
                           y3="2.87965"
                           yFract="0.32102263"
                           z3="5.59925"
                           zFract="0.2524629"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.9193"
                           xFract="0.31726871"
                           y3="2.84981"
                           yFract="0.31769607"
                           z3="5.67403"
                           zFract="0.24857399"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.23224"
                           xFract="0.14299158"
                           y3="1.31074"
                           yFract="0.14612095"
                           z3="7.61674"
                           zFract="0.35049594"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="4.7781"
                           xFract="0.38978342"
                           y3="1.29818"
                           yFract="0.14472077"
                           z3="7.78519"
                           zFract="0.35111315"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="3.50527"
                           xFract="0.14199748"
                           y3="3.54464"
                           yFract="0.39515554"
                           z3="7.65801"
                           zFract="0.3450376"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.09603"
                           xFract="0.39432292"
                           y3="3.51059"
                           yFract="0.39135965"
                           z3="7.85343"
                           zFract="0.34683277"/>
                     <atom elementType="Cu"
                           id="a17"
                           x3="5.1870"
                           xFract="0.16843382"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a18"
                           x3="6.47529"
                           xFract="0.16843391"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a19"
                           x3="7.77327"
                           xFract="0.4184344"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a20"
                           x3="9.06156"
                           xFract="0.41843449"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="6.34936"
                           xFract="0.24343314"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="7.63765"
                           xFract="0.24343323"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="8.93563"
                           xFract="0.49343372"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="10.22391"
                           xFract="0.49343285"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="3.63681"
                           xFract="0.06876723"
                           y3="5.09234"
                           yFract="0.56769273"
                           z3="5.77634"
                           zFract="0.25335324"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.21166"
                           xFract="0.31763058"
                           y3="5.09294"
                           yFract="0.56775961"
                           z3="5.86301"
                           zFract="0.25000893"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.89586"
                           xFract="0.06799384"
                           y3="7.29793"
                           yFract="0.81357132"
                           z3="5.80453"
                           zFract="0.2473658"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.53777"
                           xFract="0.3235944"
                           y3="7.29394"
                           yFract="0.81312652"
                           z3="5.96679"
                           zFract="0.2473997"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.81182"
                           xFract="0.14311795"
                           y3="5.79881"
                           yFract="0.64644982"
                           z3="8.01785"
                           zFract="0.35446913"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="7.34783"
                           xFract="0.3880908"
                           y3="5.80186"
                           yFract="0.64678983"
                           z3="8.16794"
                           zFract="0.35422303"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.09538"
                           xFract="0.14094325"
                           y3="8.0723"
                           yFract="0.89989788"
                           z3="7.8560"
                           zFract="0.33933726"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.68112"
                           xFract="0.39404621"
                           y3="8.01551"
                           yFract="0.89356695"
                           z3="8.13444"
                           zFract="0.34509925"/>
                     <atom elementType="Cu"
                           id="a33"
                           x3="7.78295"
                           xFract="0.66843382"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a34"
                           x3="9.07124"
                           xFract="0.66843391"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a35"
                           x3="10.36922"
                           xFract="0.9184344"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a36"
                           x3="11.65751"
                           xFract="0.91843449"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a37"
                           x3="8.94531"
                           xFract="0.74343314"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a38"
                           x3="10.2336"
                           xFract="0.74343323"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a39"
                           x3="11.53158"
                           xFract="0.99343372"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a40"
                           x3="12.81986"
                           xFract="0.99343285"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a41"
                           x3="6.22595"
                           xFract="0.56379362"
                           y3="0.68493"
                           yFract="0.07635582"
                           z3="5.68508"
                           zFract="0.24894023"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="8.81211"
                           xFract="0.81720206"
                           y3="0.62337"
                           yFract="0.06949312"
                           z3="5.84699"
                           zFract="0.24921464"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="7.52186"
                           xFract="0.56881675"
                           y3="2.8503"
                           yFract="0.3177507"
                           z3="5.83335"
                           zFract="0.24857533"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.10069"
                           xFract="0.81665045"
                           y3="2.87637"
                           yFract="0.32065697"
                           z3="6.07166"
                           zFract="0.25232677"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.41196"
                           xFract="0.64397334"
                           y3="1.30558"
                           yFract="0.14554572"
                           z3="7.94692"
                           zFract="0.35112626"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="9.95879"
                           xFract="0.88981384"
                           y3="1.31184"
                           yFract="0.14624358"
                           z3="8.09192"
                           zFract="0.35060359"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="8.70303"
                           xFract="0.64381402"
                           y3="3.55585"
                           yFract="0.39640522"
                           z3="7.96806"
                           zFract="0.34463941"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.2525"
                           xFract="0.89370527"
                           y3="3.49376"
                           yFract="0.38948345"
                           z3="8.46414"
                           zFract="0.36077655"/>
                     <atom elementType="Cu"
                           id="a49"
                           x3="10.35953"
                           xFract="0.66843401"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.90692"
                           zFract="0.05000395"/>
                     <atom elementType="Cu"
                           id="a50"
                           x3="11.64782"
                           xFract="0.66843411"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.0652"
                           zFract="0.05000409"/>
                     <atom elementType="Cu"
                           id="a51"
                           x3="12.9458"
                           xFract="0.91843459"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="2.0652"
                           zFract="0.05000408"/>
                     <atom elementType="Cu"
                           id="a52"
                           x3="14.23408"
                           xFract="0.91843372"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.22348"
                           zFract="0.05000424"/>
                     <atom elementType="Cu"
                           id="a53"
                           x3="11.52189"
                           xFract="0.74343333"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.1228"
                           zFract="0.15000418"/>
                     <atom elementType="Cu"
                           id="a54"
                           x3="12.81018"
                           xFract="0.74343343"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.28107"
                           zFract="0.15000385"/>
                     <atom elementType="Cu"
                           id="a55"
                           x3="14.10815"
                           xFract="0.99343294"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.28107"
                           zFract="0.15000386"/>
                     <atom elementType="Cu"
                           id="a56"
                           x3="15.39644"
                           xFract="0.99343304"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.43935"
                           zFract="0.150004"/>
                     <atom elementType="Cu"
                           id="a57"
                           x3="8.78375"
                           xFract="0.56629433"
                           y3="5.09233"
                           yFract="0.56769161"
                           z3="6.08944"
                           zFract="0.25326423"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="11.38206"
                           xFract="0.81861213"
                           y3="5.07156"
                           yFract="0.56537618"
                           z3="6.22578"
                           zFract="0.25222984"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="10.07546"
                           xFract="0.56874742"
                           y3="7.29667"
                           yFract="0.81343086"
                           z3="6.10596"
                           zFract="0.24663441"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.70513"
                           xFract="0.82316203"
                           y3="7.29273"
                           yFract="0.81299163"
                           z3="6.26732"
                           zFract="0.2466611"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.97907"
                           xFract="0.64424093"
                           y3="5.7694"
                           yFract="0.6431712"
                           z3="8.29256"
                           zFract="0.35256055"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="12.53084"
                           xFract="0.89114648"
                           y3="5.76508"
                           yFract="0.6426896"
                           z3="8.44543"
                           zFract="0.35241236"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="11.27023"
                           xFract="0.64210951"
                           y3="8.05534"
                           yFract="0.89800719"
                           z3="8.16714"
                           zFract="0.33910362"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.83626"
                           xFract="0.89235652"
                           y3="8.01567"
                           yFract="0.89358479"
                           z3="8.4484"
                           zFract="0.34502685"/>
                     <atom elementType="Br"
                           id="a65"
                           x3="4.3361"
                           xFract="0.22646022"
                           y3="3.46989"
                           yFract="0.38682243"
                           z3="9.91735"
                           zFract="0.44929202"/>
                     <atom elementType="Br"
                           id="a66"
                           x3="5.94805"
                           xFract="0.16013639"
                           y3="7.47021"
                           yFract="0.83277705"
                           z3="10.13045"
                           zFract="0.44800732"/>
                     <atom elementType="Br"
                           id="a67"
                           x3="7.57953"
                           xFract="0.54317291"
                           y3="3.41248"
                           yFract="0.38042237"
                           z3="10.09545"
                           zFract="0.44842629"/>
                     <atom elementType="Br"
                           id="a68"
                           x3="11.09407"
                           xFract="0.90844026"
                           y3="2.95263"
                           yFract="0.32915842"
                           z3="10.84477"
                           zFract="0.47438317"/>
                     <atom elementType="Br"
                           id="a69"
                           x3="11.10233"
                           xFract="0.65199638"
                           y3="7.58503"
                           yFract="0.84557715"
                           z3="10.45939"
                           zFract="0.44845221"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a33" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a4 a33" order="S"/>
                     <bond atomRefs2="a4 a19" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a17" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a34" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a26" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a7 a33" order="S"/>
                     <bond atomRefs2="a7 a41" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a37" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a21" order="S"/>
                     <bond atomRefs2="a8 a26" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a34" order="S"/>
                     <bond atomRefs2="a8 a38" order="S"/>
                     <bond atomRefs2="a8 a37" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a23" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a25" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a26" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a15 a29" order="S"/>
                     <bond atomRefs2="a16 a43" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a30" order="S"/>
                     <bond atomRefs2="a16 a26" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a47" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a23" order="S"/>
                     <bond atomRefs2="a19 a34" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a26" order="S"/>
                     <bond atomRefs2="a21 a27" order="S"/>
                     <bond atomRefs2="a21 a23" order="S"/>
                     <bond atomRefs2="a22 a28" order="S"/>
                     <bond atomRefs2="a22 a24" order="S"/>
                     <bond atomRefs2="a22 a23" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a24" order="S"/>
                     <bond atomRefs2="a23 a59" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a57" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a30 a61" order="S"/>
                     <bond atomRefs2="a30 a47" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a66" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a61" order="S"/>
                     <bond atomRefs2="a33 a35" order="S"/>
                     <bond atomRefs2="a33 a34" order="S"/>
                     <bond atomRefs2="a33 a37" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a35" order="S"/>
                     <bond atomRefs2="a34 a38" order="S"/>
                     <bond atomRefs2="a34 a37" order="S"/>
                     <bond atomRefs2="a34 a36" order="S"/>
                     <bond atomRefs2="a35 a36" order="S"/>
                     <bond atomRefs2="a35 a39" order="S"/>
                     <bond atomRefs2="a35 a37" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a40" order="S"/>
                     <bond atomRefs2="a36 a39" order="S"/>
                     <bond atomRefs2="a36 a38" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a44" order="S"/>
                     <bond atomRefs2="a38 a40" order="S"/>
                     <bond atomRefs2="a38 a39" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a57" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a58" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a57" order="S"/>
                     <bond atomRefs2="a47 a61" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a47 a67" order="S"/>
                     <bond atomRefs2="a48 a68" order="S"/>
                     <bond atomRefs2="a48 a62" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                     <bond atomRefs2="a63 a69" order="S"/>
                  </bondArray>
                  <formula concise="Br5Cu64">
                     <atomArray count="5 64" elementType="Br Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4466.463999999996</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.27">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">10.364410710831562</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">10.364412581405663</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.16843459"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.16843372"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.4184342"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.4184343"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.24343294"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.24343304"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.49343352"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.49343362"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.05505"
                           xFract="0.06474897"
                           y3="0.67056"
                           yFract="0.07475385"
                           z3="5.34178"
                           zFract="0.24769847"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="3.63503"
                           xFract="0.31686422"
                           y3="0.62153"
                           yFract="0.069288"
                           z3="5.53697"
                           zFract="0.24953892"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="2.32868"
                           xFract="0.06520336"
                           y3="2.87942"
                           yFract="0.32099699"
                           z3="5.59328"
                           zFract="0.25219248"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.92261"
                           xFract="0.31744429"
                           y3="2.85241"
                           yFract="0.31798592"
                           z3="5.6745"
                           zFract="0.24858226"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.22822"
                           xFract="0.14281956"
                           y3="1.30684"
                           yFract="0.14568618"
                           z3="7.61243"
                           zFract="0.35031083"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="4.7798"
                           xFract="0.39006159"
                           y3="1.29613"
                           yFract="0.14449223"
                           z3="7.7775"
                           zFract="0.35074909"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="3.5001"
                           xFract="0.1414111"
                           y3="3.5462"
                           yFract="0.39532944"
                           z3="7.66465"
                           zFract="0.34536298"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.09523"
                           xFract="0.39414619"
                           y3="3.51238"
                           yFract="0.3915592"
                           z3="7.86448"
                           zFract="0.34735309"/>
                     <atom elementType="Cu"
                           id="a17"
                           x3="5.1870"
                           xFract="0.16843382"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a18"
                           x3="6.47529"
                           xFract="0.16843391"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a19"
                           x3="7.77327"
                           xFract="0.4184344"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a20"
                           x3="9.06156"
                           xFract="0.41843449"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="6.34936"
                           xFract="0.24343314"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="7.63765"
                           xFract="0.24343323"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="8.93563"
                           xFract="0.49343372"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="10.22391"
                           xFract="0.49343285"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="3.63593"
                           xFract="0.06847003"
                           y3="5.09616"
                           yFract="0.56811858"
                           z3="5.76924"
                           zFract="0.25301463"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.21173"
                           xFract="0.31762902"
                           y3="5.09309"
                           yFract="0.56777634"
                           z3="5.86806"
                           zFract="0.25024658"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.90179"
                           xFract="0.0683727"
                           y3="7.30143"
                           yFract="0.8139615"
                           z3="5.80679"
                           zFract="0.2474494"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.53146"
                           xFract="0.32276455"
                           y3="7.2979"
                           yFract="0.81356798"
                           z3="5.96808"
                           zFract="0.24747211"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.80599"
                           xFract="0.14245833"
                           y3="5.80054"
                           yFract="0.64664268"
                           z3="8.0131"
                           zFract="0.3542591"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="7.35434"
                           xFract="0.38864235"
                           y3="5.80326"
                           yFract="0.6469459"
                           z3="8.16332"
                           zFract="0.35398407"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.09465"
                           xFract="0.14077162"
                           y3="8.07412"
                           yFract="0.90010078"
                           z3="7.86633"
                           zFract="0.33982338"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.6811"
                           xFract="0.39394043"
                           y3="8.01738"
                           yFract="0.89377542"
                           z3="8.13374"
                           zFract="0.34506318"/>
                     <atom elementType="Cu"
                           id="a33"
                           x3="7.78295"
                           xFract="0.66843382"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a34"
                           x3="9.07124"
                           xFract="0.66843391"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a35"
                           x3="10.36922"
                           xFract="0.9184344"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a36"
                           x3="11.65751"
                           xFract="0.91843449"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a37"
                           x3="8.94531"
                           xFract="0.74343314"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a38"
                           x3="10.2336"
                           xFract="0.74343323"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a39"
                           x3="11.53158"
                           xFract="0.99343372"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a40"
                           x3="12.81986"
                           xFract="0.99343285"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a41"
                           x3="6.2264"
                           xFract="0.56420085"
                           y3="0.67838"
                           yFract="0.07562562"
                           z3="5.68387"
                           zFract="0.24889282"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="8.81319"
                           xFract="0.81734311"
                           y3="0.62271"
                           yFract="0.06941955"
                           z3="5.85391"
                           zFract="0.2495389"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="7.51877"
                           xFract="0.56836146"
                           y3="2.85312"
                           yFract="0.31806507"
                           z3="5.83312"
                           zFract="0.24856869"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.1058"
                           xFract="0.81715384"
                           y3="2.8762"
                           yFract="0.32063802"
                           z3="6.06574"
                           zFract="0.25203318"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.41131"
                           xFract="0.64402046"
                           y3="1.3036"
                           yFract="0.14532499"
                           z3="7.93975"
                           zFract="0.35079338"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="9.96334"
                           xFract="0.8904869"
                           y3="1.30764"
                           yFract="0.14577536"
                           z3="8.08824"
                           zFract="0.35042396"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="8.7061"
                           xFract="0.64403803"
                           y3="3.55716"
                           yFract="0.39655126"
                           z3="7.97604"
                           zFract="0.34500461"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.25225"
                           xFract="0.8935556"
                           y3="3.49602"
                           yFract="0.38973539"
                           z3="8.46941"
                           zFract="0.36102197"/>
                     <atom elementType="Cu"
                           id="a49"
                           x3="10.35953"
                           xFract="0.66843401"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.90692"
                           zFract="0.05000395"/>
                     <atom elementType="Cu"
                           id="a50"
                           x3="11.64782"
                           xFract="0.66843411"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.0652"
                           zFract="0.05000409"/>
                     <atom elementType="Cu"
                           id="a51"
                           x3="12.9458"
                           xFract="0.91843459"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="2.0652"
                           zFract="0.05000408"/>
                     <atom elementType="Cu"
                           id="a52"
                           x3="14.23408"
                           xFract="0.91843372"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.22348"
                           zFract="0.05000424"/>
                     <atom elementType="Cu"
                           id="a53"
                           x3="11.52189"
                           xFract="0.74343333"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.1228"
                           zFract="0.15000418"/>
                     <atom elementType="Cu"
                           id="a54"
                           x3="12.81018"
                           xFract="0.74343343"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.28107"
                           zFract="0.15000385"/>
                     <atom elementType="Cu"
                           id="a55"
                           x3="14.10815"
                           xFract="0.99343294"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.28107"
                           zFract="0.15000386"/>
                     <atom elementType="Cu"
                           id="a56"
                           x3="15.39644"
                           xFract="0.99343304"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.43935"
                           zFract="0.150004"/>
                     <atom elementType="Cu"
                           id="a57"
                           x3="8.78606"
                           xFract="0.5662844"
                           y3="5.09653"
                           yFract="0.56815983"
                           z3="6.08202"
                           zFract="0.2529007"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="11.38197"
                           xFract="0.81864564"
                           y3="5.0708"
                           yFract="0.56529145"
                           z3="6.23161"
                           zFract="0.25250625"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="10.0808"
                           xFract="0.56907425"
                           y3="7.30008"
                           yFract="0.813811"
                           z3="6.10978"
                           zFract="0.24679342"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.69912"
                           xFract="0.82237561"
                           y3="7.29643"
                           yFract="0.8134041"
                           z3="6.27042"
                           zFract="0.24681843"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.97737"
                           xFract="0.64384392"
                           y3="5.77359"
                           yFract="0.6436383"
                           z3="8.28678"
                           zFract="0.35228593"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="12.53361"
                           xFract="0.89119545"
                           y3="5.76902"
                           yFract="0.64312883"
                           z3="8.43982"
                           zFract="0.35213327"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="11.26975"
                           xFract="0.64195705"
                           y3="8.05725"
                           yFract="0.89822011"
                           z3="8.17826"
                           zFract="0.33962611"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.8369"
                           xFract="0.89231399"
                           y3="8.01755"
                           yFract="0.89379437"
                           z3="8.44762"
                           zFract="0.34498509"/>
                     <atom elementType="Br"
                           id="a65"
                           x3="4.33497"
                           xFract="0.22619384"
                           y3="3.47272"
                           yFract="0.38713791"
                           z3="9.91296"
                           zFract="0.44908357"/>
                     <atom elementType="Br"
                           id="a66"
                           x3="5.94818"
                           xFract="0.16086531"
                           y3="7.45731"
                           yFract="0.83133896"
                           z3="10.13296"
                           zFract="0.44814684"/>
                     <atom elementType="Br"
                           id="a67"
                           x3="7.58077"
                           xFract="0.54327778"
                           y3="3.41275"
                           yFract="0.38045247"
                           z3="10.09159"
                           zFract="0.44824026"/>
                     <atom elementType="Br"
                           id="a68"
                           x3="11.09652"
                           xFract="0.90899861"
                           y3="2.94684"
                           yFract="0.32851295"
                           z3="10.81774"
                           zFract="0.47311132"/>
                     <atom elementType="Br"
                           id="a69"
                           x3="11.10146"
                           xFract="0.6523854"
                           y3="7.57651"
                           yFract="0.84462735"
                           z3="10.46475"
                           zFract="0.44872167"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a33" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a4 a33" order="S"/>
                     <bond atomRefs2="a4 a19" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a17" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a34" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a26" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a7 a33" order="S"/>
                     <bond atomRefs2="a7 a41" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a37" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a21" order="S"/>
                     <bond atomRefs2="a8 a26" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a34" order="S"/>
                     <bond atomRefs2="a8 a38" order="S"/>
                     <bond atomRefs2="a8 a37" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a23" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a25" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a26" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a15 a29" order="S"/>
                     <bond atomRefs2="a16 a43" order="S"/>
                     <bond atomRefs2="a16 a67" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a30" order="S"/>
                     <bond atomRefs2="a16 a26" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a47" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a23" order="S"/>
                     <bond atomRefs2="a19 a34" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a26" order="S"/>
                     <bond atomRefs2="a21 a27" order="S"/>
                     <bond atomRefs2="a21 a23" order="S"/>
                     <bond atomRefs2="a22 a28" order="S"/>
                     <bond atomRefs2="a22 a24" order="S"/>
                     <bond atomRefs2="a22 a23" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a24" order="S"/>
                     <bond atomRefs2="a23 a59" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a57" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a30 a61" order="S"/>
                     <bond atomRefs2="a30 a47" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a66" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a61" order="S"/>
                     <bond atomRefs2="a33 a35" order="S"/>
                     <bond atomRefs2="a33 a34" order="S"/>
                     <bond atomRefs2="a33 a37" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a35" order="S"/>
                     <bond atomRefs2="a34 a38" order="S"/>
                     <bond atomRefs2="a34 a37" order="S"/>
                     <bond atomRefs2="a34 a36" order="S"/>
                     <bond atomRefs2="a35 a36" order="S"/>
                     <bond atomRefs2="a35 a39" order="S"/>
                     <bond atomRefs2="a35 a37" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a40" order="S"/>
                     <bond atomRefs2="a36 a39" order="S"/>
                     <bond atomRefs2="a36 a38" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a44" order="S"/>
                     <bond atomRefs2="a38 a40" order="S"/>
                     <bond atomRefs2="a38 a39" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a57" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a58" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a57" order="S"/>
                     <bond atomRefs2="a47 a61" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a47 a67" order="S"/>
                     <bond atomRefs2="a48 a68" order="S"/>
                     <bond atomRefs2="a48 a62" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                     <bond atomRefs2="a63 a69" order="S"/>
                  </bondArray>
                  <formula concise="Br5Cu64">
                     <atomArray count="5 64" elementType="Br Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4466.463999999996</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.28">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">10.364410710831562</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">10.364412581405663</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.16843459"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.16843372"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.4184342"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.4184343"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.24343294"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.24343304"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.49343352"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.49343362"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.05607"
                           xFract="0.06549784"
                           y3="0.65885"
                           yFract="0.07344843"
                           z3="5.34255"
                           zFract="0.24775139"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="3.62999"
                           xFract="0.316457"
                           y3="0.62009"
                           yFract="0.06912747"
                           z3="5.55629"
                           zFract="0.2504668"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="2.31757"
                           xFract="0.06416829"
                           y3="2.87872"
                           yFract="0.32091895"
                           z3="5.57538"
                           zFract="0.25138173"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.93253"
                           xFract="0.3179695"
                           y3="2.86022"
                           yFract="0.31885657"
                           z3="5.67594"
                           zFract="0.24860849"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.21617"
                           xFract="0.14230447"
                           y3="1.29514"
                           yFract="0.14438187"
                           z3="7.5995"
                           zFract="0.3497555"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="4.78489"
                           xFract="0.39089513"
                           y3="1.28998"
                           yFract="0.14380663"
                           z3="7.75442"
                           zFract="0.34965646"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="3.4846"
                           xFract="0.13965458"
                           y3="3.55085"
                           yFract="0.39584783"
                           z3="7.68455"
                           zFract="0.34633822"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.09282"
                           xFract="0.39361391"
                           y3="3.51777"
                           yFract="0.39216008"
                           z3="7.89763"
                           zFract="0.34891405"/>
                     <atom elementType="Cu"
                           id="a17"
                           x3="5.1870"
                           xFract="0.16843382"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a18"
                           x3="6.47529"
                           xFract="0.16843391"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a19"
                           x3="7.77327"
                           xFract="0.4184344"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a20"
                           x3="9.06156"
                           xFract="0.41843449"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="6.34936"
                           xFract="0.24343314"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="7.63765"
                           xFract="0.24343323"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="8.93563"
                           xFract="0.49343372"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="10.22391"
                           xFract="0.49343285"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="3.63328"
                           xFract="0.06757638"
                           y3="5.10764"
                           yFract="0.56939837"
                           z3="5.74794"
                           zFract="0.25199882"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.21194"
                           xFract="0.31762488"
                           y3="5.09353"
                           yFract="0.56782539"
                           z3="5.88321"
                           zFract="0.25095956"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.9196"
                           xFract="0.06951066"
                           y3="7.31194"
                           yFract="0.81513315"
                           z3="5.81355"
                           zFract="0.24769919"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.51253"
                           xFract="0.32027442"
                           y3="7.30979"
                           yFract="0.81489347"
                           z3="5.97194"
                           zFract="0.24768887"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.78847"
                           xFract="0.14047656"
                           y3="5.80573"
                           yFract="0.64722126"
                           z3="7.99882"
                           zFract="0.35362769"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="7.37386"
                           xFract="0.39029656"
                           y3="5.80745"
                           yFract="0.647413"
                           z3="8.14948"
                           zFract="0.3532682"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.09246"
                           xFract="0.14025672"
                           y3="8.07958"
                           yFract="0.90070946"
                           z3="7.89733"
                           zFract="0.34128222"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.68103"
                           xFract="0.39362047"
                           y3="8.02302"
                           yFract="0.89440416"
                           z3="8.13165"
                           zFract="0.34495542"/>
                     <atom elementType="Cu"
                           id="a33"
                           x3="7.78295"
                           xFract="0.66843382"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a34"
                           x3="9.07124"
                           xFract="0.66843391"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a35"
                           x3="10.36922"
                           xFract="0.9184344"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a36"
                           x3="11.65751"
                           xFract="0.91843449"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a37"
                           x3="8.94531"
                           xFract="0.74343314"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a38"
                           x3="10.2336"
                           xFract="0.74343323"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a39"
                           x3="11.53158"
                           xFract="0.99343372"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a40"
                           x3="12.81986"
                           xFract="0.99343285"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a41"
                           x3="6.22778"
                           xFract="0.56542432"
                           y3="0.65875"
                           yFract="0.07343728"
                           z3="5.68024"
                           zFract="0.24875047"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="8.8164"
                           xFract="0.81776391"
                           y3="0.62072"
                           yFract="0.0691977"
                           z3="5.87467"
                           zFract="0.25051179"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="7.50952"
                           xFract="0.56699696"
                           y3="2.86159"
                           yFract="0.3190093"
                           z3="5.83244"
                           zFract="0.24854918"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.1211"
                           xFract="0.81866169"
                           y3="2.87568"
                           yFract="0.32058005"
                           z3="6.04796"
                           zFract="0.25115158"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.40937"
                           xFract="0.64416223"
                           y3="1.29767"
                           yFract="0.14466391"
                           z3="7.91823"
                           zFract="0.34979422"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="9.97698"
                           xFract="0.89250454"
                           y3="1.29505"
                           yFract="0.14437183"
                           z3="8.07719"
                           zFract="0.34988463"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="8.71529"
                           xFract="0.64470814"
                           y3="3.56109"
                           yFract="0.39698938"
                           z3="7.99997"
                           zFract="0.34609982"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.25149"
                           xFract="0.89310619"
                           y3="3.50279"
                           yFract="0.39049011"
                           z3="8.48522"
                           zFract="0.36175829"/>
                     <atom elementType="Cu"
                           id="a49"
                           x3="10.35953"
                           xFract="0.66843401"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.90692"
                           zFract="0.05000395"/>
                     <atom elementType="Cu"
                           id="a50"
                           x3="11.64782"
                           xFract="0.66843411"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.0652"
                           zFract="0.05000409"/>
                     <atom elementType="Cu"
                           id="a51"
                           x3="12.9458"
                           xFract="0.91843459"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="2.0652"
                           zFract="0.05000408"/>
                     <atom elementType="Cu"
                           id="a52"
                           x3="14.23408"
                           xFract="0.91843372"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.22348"
                           zFract="0.05000424"/>
                     <atom elementType="Cu"
                           id="a53"
                           x3="11.52189"
                           xFract="0.74343333"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.1228"
                           zFract="0.15000418"/>
                     <atom elementType="Cu"
                           id="a54"
                           x3="12.81018"
                           xFract="0.74343343"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.28107"
                           zFract="0.15000385"/>
                     <atom elementType="Cu"
                           id="a55"
                           x3="14.10815"
                           xFract="0.99343294"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.28107"
                           zFract="0.15000386"/>
                     <atom elementType="Cu"
                           id="a56"
                           x3="15.39644"
                           xFract="0.99343304"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.43935"
                           zFract="0.150004"/>
                     <atom elementType="Cu"
                           id="a57"
                           x3="8.79299"
                           xFract="0.56625403"
                           y3="5.10914"
                           yFract="0.56956559"
                           z3="6.05975"
                           zFract="0.25180963"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="11.38169"
                           xFract="0.81874629"
                           y3="5.0685"
                           yFract="0.56503505"
                           z3="6.24909"
                           zFract="0.25333508"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="10.09682"
                           xFract="0.57005473"
                           y3="7.31031"
                           yFract="0.81495144"
                           z3="6.12124"
                           zFract="0.24727044"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.68109"
                           xFract="0.82001691"
                           y3="7.30752"
                           yFract="0.81464041"
                           z3="6.2797"
                           zFract="0.24728948"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.97226"
                           xFract="0.6426525"
                           y3="5.78615"
                           yFract="0.64503848"
                           z3="8.26945"
                           zFract="0.3514626"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="12.54193"
                           xFract="0.89134387"
                           y3="5.78083"
                           yFract="0.64444541"
                           z3="8.42301"
                           zFract="0.35129696"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="11.26834"
                           xFract="0.641502"
                           y3="8.06299"
                           yFract="0.89886001"
                           z3="8.21164"
                           zFract="0.34119445"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.83882"
                           xFract="0.89218583"
                           y3="8.0232"
                           yFract="0.89442423"
                           z3="8.44528"
                           zFract="0.34485978"/>
                     <atom elementType="Br"
                           id="a65"
                           x3="4.33157"
                           xFract="0.22539261"
                           y3="3.48123"
                           yFract="0.38808661"
                           z3="9.8998"
                           zFract="0.44845868"/>
                     <atom elementType="Br"
                           id="a66"
                           x3="5.94857"
                           xFract="0.16305262"
                           y3="7.4186"
                           yFract="0.82702358"
                           z3="10.14051"
                           zFract="0.44856634"/>
                     <atom elementType="Br"
                           id="a67"
                           x3="7.5845"
                           xFract="0.5435928"
                           y3="3.41357"
                           yFract="0.38054389"
                           z3="10.08001"
                           zFract="0.44768214"/>
                     <atom elementType="Br"
                           id="a68"
                           x3="11.10389"
                           xFract="0.91067505"
                           y3="2.92948"
                           yFract="0.32657766"
                           z3="10.73668"
                           zFract="0.4692971"/>
                     <atom elementType="Br"
                           id="a69"
                           x3="11.09884"
                           xFract="0.65355152"
                           y3="7.55095"
                           yFract="0.84177792"
                           z3="10.48082"
                           zFract="0.44952962"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a33" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a4 a33" order="S"/>
                     <bond atomRefs2="a4 a19" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a17" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a34" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a26" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a7 a33" order="S"/>
                     <bond atomRefs2="a7 a41" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a37" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a21" order="S"/>
                     <bond atomRefs2="a8 a26" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a34" order="S"/>
                     <bond atomRefs2="a8 a38" order="S"/>
                     <bond atomRefs2="a8 a37" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a23" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a25" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a26" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a15 a29" order="S"/>
                     <bond atomRefs2="a16 a43" order="S"/>
                     <bond atomRefs2="a16 a67" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a30" order="S"/>
                     <bond atomRefs2="a16 a26" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a47" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a23" order="S"/>
                     <bond atomRefs2="a19 a34" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a26" order="S"/>
                     <bond atomRefs2="a21 a27" order="S"/>
                     <bond atomRefs2="a21 a23" order="S"/>
                     <bond atomRefs2="a22 a28" order="S"/>
                     <bond atomRefs2="a22 a24" order="S"/>
                     <bond atomRefs2="a22 a23" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a24" order="S"/>
                     <bond atomRefs2="a23 a59" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a57" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a30 a61" order="S"/>
                     <bond atomRefs2="a30 a47" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a66" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a61" order="S"/>
                     <bond atomRefs2="a33 a35" order="S"/>
                     <bond atomRefs2="a33 a34" order="S"/>
                     <bond atomRefs2="a33 a37" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a35" order="S"/>
                     <bond atomRefs2="a34 a38" order="S"/>
                     <bond atomRefs2="a34 a37" order="S"/>
                     <bond atomRefs2="a34 a36" order="S"/>
                     <bond atomRefs2="a35 a36" order="S"/>
                     <bond atomRefs2="a35 a39" order="S"/>
                     <bond atomRefs2="a35 a37" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a40" order="S"/>
                     <bond atomRefs2="a36 a39" order="S"/>
                     <bond atomRefs2="a36 a38" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a44" order="S"/>
                     <bond atomRefs2="a38 a40" order="S"/>
                     <bond atomRefs2="a38 a39" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a57" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a58" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a57" order="S"/>
                     <bond atomRefs2="a47 a61" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a47 a67" order="S"/>
                     <bond atomRefs2="a48 a68" order="S"/>
                     <bond atomRefs2="a48 a62" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                     <bond atomRefs2="a63 a69" order="S"/>
                  </bondArray>
                  <formula concise="Br5Cu64">
                     <atomArray count="5 64" elementType="Br Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4466.463999999996</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.29">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">10.364410710831562</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">10.364412581405663</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.16843459"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.16843372"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.4184342"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.4184343"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.24343294"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.24343304"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.49343352"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.49343362"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.05811"
                           xFract="0.06699446"
                           y3="0.63545"
                           yFract="0.0708398"
                           z3="5.3441"
                           zFract="0.24785767"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="3.61992"
                           xFract="0.31564296"
                           y3="0.61722"
                           yFract="0.06880752"
                           z3="5.59492"
                           zFract="0.25232204"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="2.29535"
                           xFract="0.0620976"
                           y3="2.87733"
                           yFract="0.32076399"
                           z3="5.53957"
                           zFract="0.24975974"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.95238"
                           xFract="0.31902145"
                           y3="2.87583"
                           yFract="0.32059677"
                           z3="5.67881"
                           zFract="0.24866046"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.19208"
                           xFract="0.14127525"
                           y3="1.27174"
                           yFract="0.14177324"
                           z3="7.57364"
                           zFract="0.3486448"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="4.79507"
                           xFract="0.39256165"
                           y3="1.27769"
                           yFract="0.14243655"
                           z3="7.70827"
                           zFract="0.34747166"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="3.45359"
                           xFract="0.13614001"
                           y3="3.56016"
                           yFract="0.3968857"
                           z3="7.72436"
                           zFract="0.34828918"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.08802"
                           xFract="0.39255074"
                           y3="3.52856"
                           yFract="0.39336294"
                           z3="7.96394"
                           zFract="0.35203637"/>
                     <atom elementType="Cu"
                           id="a17"
                           x3="5.1870"
                           xFract="0.16843382"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a18"
                           x3="6.47529"
                           xFract="0.16843391"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a19"
                           x3="7.77327"
                           xFract="0.4184344"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a20"
                           x3="9.06156"
                           xFract="0.41843449"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="6.34936"
                           xFract="0.24343314"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="7.63765"
                           xFract="0.24343323"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="8.93563"
                           xFract="0.49343372"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="10.22391"
                           xFract="0.49343285"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="3.6280"
                           xFract="0.06579099"
                           y3="5.1306"
                           yFract="0.57195794"
                           z3="5.70534"
                           zFract="0.24996714"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.21236"
                           xFract="0.31761606"
                           y3="5.09442"
                           yFract="0.5679246"
                           z3="5.9135"
                           zFract="0.25238502"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.95521"
                           xFract="0.07178673"
                           y3="7.33294"
                           yFract="0.81747423"
                           z3="5.82708"
                           zFract="0.2481993"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.47467"
                           xFract="0.31529417"
                           y3="7.33357"
                           yFract="0.81754446"
                           z3="5.97967"
                           zFract="0.24812287"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.75344"
                           xFract="0.13651455"
                           y3="5.8161"
                           yFract="0.6483773"
                           z3="7.97028"
                           zFract="0.3523658"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="7.4129"
                           xFract="0.39360444"
                           y3="5.81584"
                           yFract="0.64834832"
                           z3="8.12179"
                           zFract="0.35183597"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.08808"
                           xFract="0.13922693"
                           y3="8.0905"
                           yFract="0.90192682"
                           z3="7.95931"
                           zFract="0.34419895"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.68089"
                           xFract="0.39298055"
                           y3="8.0343"
                           yFract="0.89566165"
                           z3="8.12748"
                           zFract="0.34474037"/>
                     <atom elementType="Cu"
                           id="a33"
                           x3="7.78295"
                           xFract="0.66843382"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a34"
                           x3="9.07124"
                           xFract="0.66843391"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a35"
                           x3="10.36922"
                           xFract="0.9184344"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a36"
                           x3="11.65751"
                           xFract="0.91843449"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a37"
                           x3="8.94531"
                           xFract="0.74343314"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a38"
                           x3="10.2336"
                           xFract="0.74343323"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a39"
                           x3="11.53158"
                           xFract="0.99343372"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a40"
                           x3="12.81986"
                           xFract="0.99343285"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a41"
                           x3="6.23054"
                           xFract="0.56787127"
                           y3="0.61949"
                           yFract="0.06906058"
                           z3="5.67298"
                           zFract="0.24846577"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="8.82283"
                           xFract="0.81860648"
                           y3="0.61674"
                           yFract="0.06875401"
                           z3="5.91619"
                           zFract="0.25245753"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="7.49101"
                           xFract="0.56426756"
                           y3="2.87852"
                           yFract="0.32089665"
                           z3="5.83106"
                           zFract="0.24850925"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.15171"
                           xFract="0.82167723"
                           y3="2.87466"
                           yFract="0.32046634"
                           z3="6.0124"
                           zFract="0.24938832"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.4055"
                           xFract="0.64444618"
                           y3="1.28582"
                           yFract="0.14334288"
                           z3="7.8752"
                           zFract="0.34779633"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="10.00428"
                           xFract="0.89654231"
                           y3="1.26986"
                           yFract="0.14156366"
                           z3="8.05509"
                           zFract="0.34880592"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="8.73366"
                           xFract="0.64604739"
                           y3="3.56895"
                           yFract="0.39786561"
                           z3="8.04784"
                           zFract="0.34829074"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.24997"
                           xFract="0.89220681"
                           y3="3.51634"
                           yFract="0.39200066"
                           z3="8.51685"
                           zFract="0.36323139"/>
                     <atom elementType="Cu"
                           id="a49"
                           x3="10.35953"
                           xFract="0.66843401"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.90692"
                           zFract="0.05000395"/>
                     <atom elementType="Cu"
                           id="a50"
                           x3="11.64782"
                           xFract="0.66843411"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.0652"
                           zFract="0.05000409"/>
                     <atom elementType="Cu"
                           id="a51"
                           x3="12.9458"
                           xFract="0.91843459"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="2.0652"
                           zFract="0.05000408"/>
                     <atom elementType="Cu"
                           id="a52"
                           x3="14.23408"
                           xFract="0.91843372"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.22348"
                           zFract="0.05000424"/>
                     <atom elementType="Cu"
                           id="a53"
                           x3="11.52189"
                           xFract="0.74343333"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.1228"
                           zFract="0.15000418"/>
                     <atom elementType="Cu"
                           id="a54"
                           x3="12.81018"
                           xFract="0.74343343"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.28107"
                           zFract="0.15000385"/>
                     <atom elementType="Cu"
                           id="a55"
                           x3="14.10815"
                           xFract="0.99343294"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.28107"
                           zFract="0.15000386"/>
                     <atom elementType="Cu"
                           id="a56"
                           x3="15.39644"
                           xFract="0.99343304"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.43935"
                           zFract="0.150004"/>
                     <atom elementType="Cu"
                           id="a57"
                           x3="8.80686"
                           xFract="0.56619483"
                           y3="5.13435"
                           yFract="0.57237599"
                           z3="6.01522"
                           zFract="0.24962793"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="11.38113"
                           xFract="0.81894705"
                           y3="5.06391"
                           yFract="0.56452336"
                           z3="6.28405"
                           zFract="0.25499271"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="10.12886"
                           xFract="0.57201569"
                           y3="7.33077"
                           yFract="0.81723231"
                           z3="6.14416"
                           zFract="0.24822449"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.64502"
                           xFract="0.81529854"
                           y3="7.3297"
                           yFract="0.81711303"
                           z3="6.29827"
                           zFract="0.24823209"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.96204"
                           xFract="0.64026909"
                           y3="5.81128"
                           yFract="0.64783997"
                           z3="8.23478"
                           zFract="0.34981544"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="12.55855"
                           xFract="0.89163768"
                           y3="5.80447"
                           yFract="0.64708079"
                           z3="8.38939"
                           zFract="0.34962435"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="11.2655"
                           xFract="0.64059053"
                           y3="8.07446"
                           yFract="0.90013868"
                           z3="8.27839"
                           zFract="0.34433072"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.84265"
                           xFract="0.89192856"
                           y3="8.0345"
                           yFract="0.89568395"
                           z3="8.44058"
                           zFract="0.34460826"/>
                     <atom elementType="Br"
                           id="a65"
                           x3="4.32477"
                           xFract="0.22379126"
                           y3="3.49823"
                           yFract="0.38998176"
                           z3="9.87348"
                           zFract="0.44720893"/>
                     <atom elementType="Br"
                           id="a66"
                           x3="5.94936"
                           xFract="0.16742876"
                           y3="7.34117"
                           yFract="0.8183917"
                           z3="10.1556"
                           zFract="0.44940487"/>
                     <atom elementType="Br"
                           id="a67"
                           x3="7.59195"
                           xFract="0.54422188"
                           y3="3.41521"
                           yFract="0.38072671"
                           z3="10.05685"
                           zFract="0.44656592"/>
                     <atom elementType="Br"
                           id="a68"
                           x3="11.11862"
                           xFract="0.91402696"
                           y3="2.89476"
                           yFract="0.32270708"
                           z3="10.57455"
                           zFract="0.46166822"/>
                     <atom elementType="Br"
                           id="a69"
                           x3="11.09361"
                           xFract="0.65588416"
                           y3="7.49984"
                           yFract="0.83608019"
                           z3="10.51297"
                           zFract="0.45114593"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a33" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a4 a33" order="S"/>
                     <bond atomRefs2="a4 a19" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a17" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a34" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a26" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a33" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a41" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a37" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a21" order="S"/>
                     <bond atomRefs2="a8 a26" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a34" order="S"/>
                     <bond atomRefs2="a8 a38" order="S"/>
                     <bond atomRefs2="a8 a37" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a23" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a25" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a26" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a15 a29" order="S"/>
                     <bond atomRefs2="a16 a43" order="S"/>
                     <bond atomRefs2="a16 a67" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a30" order="S"/>
                     <bond atomRefs2="a16 a26" order="S"/>
                     <bond atomRefs2="a16 a47" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a23" order="S"/>
                     <bond atomRefs2="a19 a34" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a26" order="S"/>
                     <bond atomRefs2="a21 a27" order="S"/>
                     <bond atomRefs2="a21 a23" order="S"/>
                     <bond atomRefs2="a22 a28" order="S"/>
                     <bond atomRefs2="a22 a24" order="S"/>
                     <bond atomRefs2="a22 a23" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a24" order="S"/>
                     <bond atomRefs2="a23 a59" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a57" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a30 a61" order="S"/>
                     <bond atomRefs2="a30 a47" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a66" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a61" order="S"/>
                     <bond atomRefs2="a33 a35" order="S"/>
                     <bond atomRefs2="a33 a34" order="S"/>
                     <bond atomRefs2="a33 a37" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a35" order="S"/>
                     <bond atomRefs2="a34 a38" order="S"/>
                     <bond atomRefs2="a34 a37" order="S"/>
                     <bond atomRefs2="a34 a36" order="S"/>
                     <bond atomRefs2="a35 a36" order="S"/>
                     <bond atomRefs2="a35 a39" order="S"/>
                     <bond atomRefs2="a35 a37" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a40" order="S"/>
                     <bond atomRefs2="a36 a39" order="S"/>
                     <bond atomRefs2="a36 a38" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a44" order="S"/>
                     <bond atomRefs2="a38 a40" order="S"/>
                     <bond atomRefs2="a38 a39" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a57" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a58" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a57" order="S"/>
                     <bond atomRefs2="a47 a61" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a47 a67" order="S"/>
                     <bond atomRefs2="a48 a68" order="S"/>
                     <bond atomRefs2="a48 a62" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                     <bond atomRefs2="a63 a69" order="S"/>
                  </bondArray>
                  <formula concise="Br5Cu64">
                     <atomArray count="5 64" elementType="Br Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4466.463999999996</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.30">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">10.364410710831562</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">10.364412581405663</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.16843459"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.16843372"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.4184342"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.4184343"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.24343294"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.24343304"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.49343352"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.49343362"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.05663"
                           xFract="0.06590848"
                           y3="0.65243"
                           yFract="0.07273273"
                           z3="5.34298"
                           zFract="0.24778077"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="3.62723"
                           xFract="0.31623407"
                           y3="0.6193"
                           yFract="0.0690394"
                           z3="5.56689"
                           zFract="0.25097587"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="2.31147"
                           xFract="0.06359974"
                           y3="2.87834"
                           yFract="0.32087659"
                           z3="5.56555"
                           zFract="0.25093648"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.93798"
                           xFract="0.31825865"
                           y3="2.8645"
                           yFract="0.31933371"
                           z3="5.67673"
                           zFract="0.24862286"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.20956"
                           xFract="0.14202203"
                           y3="1.28872"
                           yFract="0.14366617"
                           z3="7.5924"
                           zFract="0.34945053"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="4.78768"
                           xFract="0.39135196"
                           y3="1.28661"
                           yFract="0.14343094"
                           z3="7.74176"
                           zFract="0.34905712"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="3.47609"
                           xFract="0.1386898"
                           y3="3.55341"
                           yFract="0.39613321"
                           z3="7.69547"
                           zFract="0.34687337"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.0915"
                           xFract="0.39332194"
                           y3="3.52073"
                           yFract="0.39249006"
                           z3="7.91582"
                           zFract="0.34977057"/>
                     <atom elementType="Cu"
                           id="a17"
                           x3="5.1870"
                           xFract="0.16843382"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a18"
                           x3="6.47529"
                           xFract="0.16843391"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a19"
                           x3="7.77327"
                           xFract="0.4184344"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a20"
                           x3="9.06156"
                           xFract="0.41843449"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="6.34936"
                           xFract="0.24343314"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="7.63765"
                           xFract="0.24343323"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="8.93563"
                           xFract="0.49343372"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="10.22391"
                           xFract="0.49343285"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="3.63184"
                           xFract="0.06708733"
                           y3="5.11394"
                           yFract="0.57010069"
                           z3="5.73625"
                           zFract="0.25144128"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.21205"
                           xFract="0.31762163"
                           y3="5.09378"
                           yFract="0.56785326"
                           z3="5.89152"
                           zFract="0.25135064"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.92937"
                           xFract="0.07013522"
                           y3="7.3177"
                           yFract="0.81577527"
                           z3="5.81726"
                           zFract="0.2478363"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.50214"
                           xFract="0.31890801"
                           y3="7.31631"
                           yFract="0.81562032"
                           z3="5.97406"
                           zFract="0.24780792"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.77886"
                           xFract="0.13938991"
                           y3="5.80857"
                           yFract="0.64753786"
                           z3="7.99099"
                           zFract="0.3532815"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="7.38457"
                           xFract="0.39120412"
                           y3="5.80975"
                           yFract="0.6476694"
                           z3="8.14188"
                           zFract="0.35287512"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.09126"
                           xFract="0.13997413"
                           y3="8.08258"
                           yFract="0.9010439"
                           z3="7.91434"
                           zFract="0.34208269"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.68099"
                           xFract="0.39344446"
                           y3="8.02612"
                           yFract="0.89474975"
                           z3="8.13051"
                           zFract="0.34489661"/>
                     <atom elementType="Cu"
                           id="a33"
                           x3="7.78295"
                           xFract="0.66843382"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a34"
                           x3="9.07124"
                           xFract="0.66843391"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a35"
                           x3="10.36922"
                           xFract="0.9184344"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a36"
                           x3="11.65751"
                           xFract="0.91843449"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a37"
                           x3="8.94531"
                           xFract="0.74343314"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a38"
                           x3="10.2336"
                           xFract="0.74343323"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a39"
                           x3="11.53158"
                           xFract="0.99343372"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a40"
                           x3="12.81986"
                           xFract="0.99343285"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a41"
                           x3="6.22854"
                           xFract="0.56609586"
                           y3="0.64798"
                           yFract="0.07223664"
                           z3="5.67825"
                           zFract="0.24867244"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="8.81816"
                           xFract="0.81799457"
                           y3="0.61963"
                           yFract="0.06907619"
                           z3="5.88606"
                           zFract="0.25104556"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="7.50444"
                           xFract="0.56624824"
                           y3="2.86623"
                           yFract="0.31952657"
                           z3="5.83206"
                           zFract="0.24853817"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.1295"
                           xFract="0.81948922"
                           y3="2.8754"
                           yFract="0.32054884"
                           z3="6.0382"
                           zFract="0.25066763"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.40831"
                           xFract="0.64424024"
                           y3="1.29442"
                           yFract="0.1443016"
                           z3="7.90643"
                           zFract="0.34924634"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="9.98447"
                           xFract="0.89361283"
                           y3="1.28813"
                           yFract="0.14360039"
                           z3="8.07113"
                           zFract="0.34958885"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="8.72033"
                           xFract="0.64507538"
                           y3="3.56325"
                           yFract="0.39723017"
                           z3="8.01311"
                           zFract="0.34670122"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.25107"
                           xFract="0.89285902"
                           y3="3.50651"
                           yFract="0.39090481"
                           z3="8.4939"
                           zFract="0.36216255"/>
                     <atom elementType="Cu"
                           id="a49"
                           x3="10.35953"
                           xFract="0.66843401"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.90692"
                           zFract="0.05000395"/>
                     <atom elementType="Cu"
                           id="a50"
                           x3="11.64782"
                           xFract="0.66843411"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.0652"
                           zFract="0.05000409"/>
                     <atom elementType="Cu"
                           id="a51"
                           x3="12.9458"
                           xFract="0.91843459"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="2.0652"
                           zFract="0.05000408"/>
                     <atom elementType="Cu"
                           id="a52"
                           x3="14.23408"
                           xFract="0.91843372"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.22348"
                           zFract="0.05000424"/>
                     <atom elementType="Cu"
                           id="a53"
                           x3="11.52189"
                           xFract="0.74343333"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.1228"
                           zFract="0.15000418"/>
                     <atom elementType="Cu"
                           id="a54"
                           x3="12.81018"
                           xFract="0.74343343"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.28107"
                           zFract="0.15000385"/>
                     <atom elementType="Cu"
                           id="a55"
                           x3="14.10815"
                           xFract="0.99343294"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.28107"
                           zFract="0.15000386"/>
                     <atom elementType="Cu"
                           id="a56"
                           x3="15.39644"
                           xFract="0.99343304"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.43935"
                           zFract="0.150004"/>
                     <atom elementType="Cu"
                           id="a57"
                           x3="8.7968"
                           xFract="0.56623861"
                           y3="5.11605"
                           yFract="0.57033591"
                           z3="6.04753"
                           zFract="0.25121092"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="11.38153"
                           xFract="0.8188008"
                           y3="5.06724"
                           yFract="0.56489458"
                           z3="6.25868"
                           zFract="0.25378981"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="10.10561"
                           xFract="0.57059233"
                           y3="7.31593"
                           yFract="0.81557796"
                           z3="6.12753"
                           zFract="0.24753226"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.67119"
                           xFract="0.81872175"
                           y3="7.31361"
                           yFract="0.81531932"
                           z3="6.2848"
                           zFract="0.24754834"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.96945"
                           xFract="0.64199771"
                           y3="5.79305"
                           yFract="0.64580769"
                           z3="8.25993"
                           zFract="0.35101032"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="12.54649"
                           xFract="0.89142426"
                           y3="5.78732"
                           yFract="0.64516891"
                           z3="8.41379"
                           zFract="0.35083824"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="11.26756"
                           xFract="0.64125168"
                           y3="8.06614"
                           yFract="0.89921117"
                           z3="8.22995"
                           zFract="0.34205475"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.83987"
                           xFract="0.89211519"
                           y3="8.0263"
                           yFract="0.89476982"
                           z3="8.44399"
                           zFract="0.34479075"/>
                     <atom elementType="Br"
                           id="a65"
                           x3="4.3297"
                           xFract="0.22495307"
                           y3="3.48589"
                           yFract="0.3886061"
                           z3="9.89258"
                           zFract="0.44811587"/>
                     <atom elementType="Br"
                           id="a66"
                           x3="5.94879"
                           xFract="0.16425392"
                           y3="7.39735"
                           yFract="0.82465464"
                           z3="10.14465"
                           zFract="0.4487964"/>
                     <atom elementType="Br"
                           id="a67"
                           x3="7.58654"
                           xFract="0.54376501"
                           y3="3.41402"
                           yFract="0.38059405"
                           z3="10.07365"
                           zFract="0.44737563"/>
                     <atom elementType="Br"
                           id="a68"
                           x3="11.10793"
                           xFract="0.91159423"
                           y3="2.91996"
                           yFract="0.32551637"
                           z3="10.69219"
                           zFract="0.46720366"/>
                     <atom elementType="Br"
                           id="a69"
                           x3="11.09741"
                           xFract="0.65419183"
                           y3="7.53693"
                           yFract="0.84021498"
                           z3="10.48965"
                           zFract="0.44997349"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a33" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a4 a33" order="S"/>
                     <bond atomRefs2="a4 a19" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a17" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a34" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a26" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a7 a33" order="S"/>
                     <bond atomRefs2="a7 a41" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a37" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a21" order="S"/>
                     <bond atomRefs2="a8 a26" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a34" order="S"/>
                     <bond atomRefs2="a8 a38" order="S"/>
                     <bond atomRefs2="a8 a37" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a23" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a25" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a26" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a15 a29" order="S"/>
                     <bond atomRefs2="a16 a43" order="S"/>
                     <bond atomRefs2="a16 a67" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a30" order="S"/>
                     <bond atomRefs2="a16 a26" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a47" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a23" order="S"/>
                     <bond atomRefs2="a19 a34" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a26" order="S"/>
                     <bond atomRefs2="a21 a27" order="S"/>
                     <bond atomRefs2="a21 a23" order="S"/>
                     <bond atomRefs2="a22 a28" order="S"/>
                     <bond atomRefs2="a22 a24" order="S"/>
                     <bond atomRefs2="a22 a23" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a24" order="S"/>
                     <bond atomRefs2="a23 a59" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a57" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a30 a61" order="S"/>
                     <bond atomRefs2="a30 a47" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a66" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a61" order="S"/>
                     <bond atomRefs2="a33 a35" order="S"/>
                     <bond atomRefs2="a33 a34" order="S"/>
                     <bond atomRefs2="a33 a37" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a35" order="S"/>
                     <bond atomRefs2="a34 a38" order="S"/>
                     <bond atomRefs2="a34 a37" order="S"/>
                     <bond atomRefs2="a34 a36" order="S"/>
                     <bond atomRefs2="a35 a36" order="S"/>
                     <bond atomRefs2="a35 a39" order="S"/>
                     <bond atomRefs2="a35 a37" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a40" order="S"/>
                     <bond atomRefs2="a36 a39" order="S"/>
                     <bond atomRefs2="a36 a38" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a44" order="S"/>
                     <bond atomRefs2="a38 a40" order="S"/>
                     <bond atomRefs2="a38 a39" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a57" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a58" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a57" order="S"/>
                     <bond atomRefs2="a47 a61" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a47 a67" order="S"/>
                     <bond atomRefs2="a48 a68" order="S"/>
                     <bond atomRefs2="a48 a62" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                     <bond atomRefs2="a63 a69" order="S"/>
                  </bondArray>
                  <formula concise="Br5Cu64">
                     <atomArray count="5 64" elementType="Br Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4466.463999999996</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.31">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">10.364410710831562</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">10.364412581405663</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.16843459"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.16843372"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.4184342"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.4184343"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.24343294"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.24343304"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.49343352"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.49343362"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.0568"
                           xFract="0.06650022"
                           y3="0.64207"
                           yFract="0.0715778"
                           z3="5.34575"
                           zFract="0.24792819"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="3.62659"
                           xFract="0.31596896"
                           y3="0.62296"
                           yFract="0.06944742"
                           z3="5.5661"
                           zFract="0.25093435"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="2.31561"
                           xFract="0.06399882"
                           y3="2.87836"
                           yFract="0.32087882"
                           z3="5.56187"
                           zFract="0.25075099"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.93829"
                           xFract="0.31807871"
                           y3="2.86828"
                           yFract="0.3197551"
                           z3="5.68311"
                           zFract="0.24891647"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.20807"
                           xFract="0.14192187"
                           y3="1.28793"
                           yFract="0.1435781"
                           z3="7.58444"
                           zFract="0.34908084"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="4.78821"
                           xFract="0.39123771"
                           y3="1.28959"
                           yFract="0.14376315"
                           z3="7.72674"
                           zFract="0.34834243"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="3.4687"
                           xFract="0.13797767"
                           y3="3.55337"
                           yFract="0.39612875"
                           z3="7.69535"
                           zFract="0.34688911"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.08958"
                           xFract="0.39304194"
                           y3="3.52243"
                           yFract="0.39267957"
                           z3="7.93197"
                           zFract="0.35053473"/>
                     <atom elementType="Cu"
                           id="a17"
                           x3="5.1870"
                           xFract="0.16843382"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a18"
                           x3="6.47529"
                           xFract="0.16843391"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a19"
                           x3="7.77327"
                           xFract="0.4184344"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a20"
                           x3="9.06156"
                           xFract="0.41843449"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="6.34936"
                           xFract="0.24343314"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="7.63765"
                           xFract="0.24343323"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="8.93563"
                           xFract="0.49343372"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="10.22391"
                           xFract="0.49343285"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="3.63095"
                           xFract="0.06680583"
                           y3="5.11746"
                           yFract="0.5704931"
                           z3="5.72751"
                           zFract="0.25102588"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.2123"
                           xFract="0.31760748"
                           y3="5.09447"
                           yFract="0.56793018"
                           z3="5.89881"
                           zFract="0.25169248"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.93153"
                           xFract="0.07007358"
                           y3="7.32257"
                           yFract="0.81631818"
                           z3="5.8225"
                           zFract="0.248069"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.49874"
                           xFract="0.31823451"
                           y3="7.32252"
                           yFract="0.81631261"
                           z3="5.97902"
                           zFract="0.24804122"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.77385"
                           xFract="0.13876901"
                           y3="5.81103"
                           yFract="0.6478121"
                           z3="7.97971"
                           zFract="0.35276"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="7.39113"
                           xFract="0.39168442"
                           y3="5.81252"
                           yFract="0.6479782"
                           z3="8.12987"
                           zFract="0.3522853"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.0907"
                           xFract="0.13989668"
                           y3="8.0830"
                           yFract="0.90109072"
                           z3="7.92501"
                           zFract="0.34258669"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.6802"
                           xFract="0.39328757"
                           y3="8.02757"
                           yFract="0.8949114"
                           z3="8.13259"
                           zFract="0.34499454"/>
                     <atom elementType="Cu"
                           id="a33"
                           x3="7.78295"
                           xFract="0.66843382"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a34"
                           x3="9.07124"
                           xFract="0.66843391"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a35"
                           x3="10.36922"
                           xFract="0.9184344"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a36"
                           x3="11.65751"
                           xFract="0.91843449"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a37"
                           x3="8.94531"
                           xFract="0.74343314"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a38"
                           x3="10.2336"
                           xFract="0.74343323"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a39"
                           x3="11.53158"
                           xFract="0.99343372"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a40"
                           x3="12.81986"
                           xFract="0.99343285"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a41"
                           x3="6.22905"
                           xFract="0.56669325"
                           y3="0.63811"
                           yFract="0.07113634"
                           z3="5.67898"
                           zFract="0.24872187"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="8.82041"
                           xFract="0.81798383"
                           y3="0.62374"
                           yFract="0.06953437"
                           z3="5.88571"
                           zFract="0.2510157"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="7.50438"
                           xFract="0.5660292"
                           y3="2.87007"
                           yFract="0.31995465"
                           z3="5.83855"
                           zFract="0.24883793"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.12642"
                           xFract="0.81915984"
                           y3="2.87597"
                           yFract="0.32061238"
                           z3="6.03498"
                           zFract="0.25052374"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.40967"
                           xFract="0.64423176"
                           y3="1.29694"
                           yFract="0.14458253"
                           z3="7.89315"
                           zFract="0.34861207"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="9.98713"
                           xFract="0.89387551"
                           y3="1.28803"
                           yFract="0.14358925"
                           z3="8.06307"
                           zFract="0.34920131"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="8.72723"
                           xFract="0.6457307"
                           y3="3.56346"
                           yFract="0.39725359"
                           z3="8.01322"
                           zFract="0.34668614"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.25318"
                           xFract="0.89215393"
                           y3="3.52288"
                           yFract="0.39272974"
                           z3="8.45423"
                           zFract="0.3602587"/>
                     <atom elementType="Cu"
                           id="a49"
                           x3="10.35953"
                           xFract="0.66843401"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.90692"
                           zFract="0.05000395"/>
                     <atom elementType="Cu"
                           id="a50"
                           x3="11.64782"
                           xFract="0.66843411"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.0652"
                           zFract="0.05000409"/>
                     <atom elementType="Cu"
                           id="a51"
                           x3="12.9458"
                           xFract="0.91843459"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="2.0652"
                           zFract="0.05000408"/>
                     <atom elementType="Cu"
                           id="a52"
                           x3="14.23408"
                           xFract="0.91843372"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.22348"
                           zFract="0.05000424"/>
                     <atom elementType="Cu"
                           id="a53"
                           x3="11.52189"
                           xFract="0.74343333"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.1228"
                           zFract="0.15000418"/>
                     <atom elementType="Cu"
                           id="a54"
                           x3="12.81018"
                           xFract="0.74343343"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.28107"
                           zFract="0.15000385"/>
                     <atom elementType="Cu"
                           id="a55"
                           x3="14.10815"
                           xFract="0.99343294"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.28107"
                           zFract="0.15000386"/>
                     <atom elementType="Cu"
                           id="a56"
                           x3="15.39644"
                           xFract="0.99343304"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.43935"
                           zFract="0.150004"/>
                     <atom elementType="Cu"
                           id="a57"
                           x3="8.79996"
                           xFract="0.56636137"
                           y3="5.11934"
                           yFract="0.57070268"
                           z3="6.03954"
                           zFract="0.25081959"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="11.3819"
                           xFract="0.81894152"
                           y3="5.06535"
                           yFract="0.56468389"
                           z3="6.26386"
                           zFract="0.25403613"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="10.10744"
                           xFract="0.57039106"
                           y3="7.32274"
                           yFract="0.81633713"
                           z3="6.13351"
                           zFract="0.24779756"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.66835"
                           xFract="0.81804184"
                           y3="7.32091"
                           yFract="0.81613312"
                           z3="6.29056"
                           zFract="0.24781593"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.96905"
                           xFract="0.64145371"
                           y3="5.80215"
                           yFract="0.64682216"
                           z3="8.24788"
                           zFract="0.35042812"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="12.54865"
                           xFract="0.89112939"
                           y3="5.79639"
                           yFract="0.64618004"
                           z3="8.40178"
                           zFract="0.3502506"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="11.26754"
                           xFract="0.64092045"
                           y3="8.07207"
                           yFract="0.89987224"
                           z3="8.24295"
                           zFract="0.34265785"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.84093"
                           xFract="0.89215101"
                           y3="8.0275"
                           yFract="0.89490359"
                           z3="8.44615"
                           zFract="0.34488753"/>
                     <atom elementType="Br"
                           id="a65"
                           x3="4.31703"
                           xFract="0.22335683"
                           y3="3.49258"
                           yFract="0.3893519"
                           z3="9.89135"
                           zFract="0.44808327"/>
                     <atom elementType="Br"
                           id="a66"
                           x3="5.94828"
                           xFract="0.16599606"
                           y3="7.36509"
                           yFract="0.8210583"
                           z3="10.1643"
                           zFract="0.44977824"/>
                     <atom elementType="Br"
                           id="a67"
                           x3="7.59897"
                           xFract="0.54503985"
                           y3="3.4127"
                           yFract="0.3804469"
                           z3="10.07586"
                           zFract="0.44744617"/>
                     <atom elementType="Br"
                           id="a68"
                           x3="11.1102"
                           xFract="0.91323581"
                           y3="2.89435"
                           yFract="0.32266138"
                           z3="10.67636"
                           zFract="0.4664935"/>
                     <atom elementType="Br"
                           id="a69"
                           x3="11.0940"
                           xFract="0.65520106"
                           y3="7.51282"
                           yFract="0.8375272"
                           z3="10.51654"
                           zFract="0.45129145"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a33" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a4 a33" order="S"/>
                     <bond atomRefs2="a4 a19" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a17" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a34" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a26" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a33" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a41" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a37" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a21" order="S"/>
                     <bond atomRefs2="a8 a26" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a34" order="S"/>
                     <bond atomRefs2="a8 a38" order="S"/>
                     <bond atomRefs2="a8 a37" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a23" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a25" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a26" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a15 a29" order="S"/>
                     <bond atomRefs2="a16 a43" order="S"/>
                     <bond atomRefs2="a16 a67" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a30" order="S"/>
                     <bond atomRefs2="a16 a26" order="S"/>
                     <bond atomRefs2="a16 a47" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a23" order="S"/>
                     <bond atomRefs2="a19 a34" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a26" order="S"/>
                     <bond atomRefs2="a21 a27" order="S"/>
                     <bond atomRefs2="a21 a23" order="S"/>
                     <bond atomRefs2="a22 a28" order="S"/>
                     <bond atomRefs2="a22 a24" order="S"/>
                     <bond atomRefs2="a22 a23" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a24" order="S"/>
                     <bond atomRefs2="a23 a59" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a57" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a30 a61" order="S"/>
                     <bond atomRefs2="a30 a47" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a66" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a61" order="S"/>
                     <bond atomRefs2="a33 a35" order="S"/>
                     <bond atomRefs2="a33 a34" order="S"/>
                     <bond atomRefs2="a33 a37" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a35" order="S"/>
                     <bond atomRefs2="a34 a38" order="S"/>
                     <bond atomRefs2="a34 a37" order="S"/>
                     <bond atomRefs2="a34 a36" order="S"/>
                     <bond atomRefs2="a35 a36" order="S"/>
                     <bond atomRefs2="a35 a39" order="S"/>
                     <bond atomRefs2="a35 a37" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a40" order="S"/>
                     <bond atomRefs2="a36 a39" order="S"/>
                     <bond atomRefs2="a36 a38" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a44" order="S"/>
                     <bond atomRefs2="a38 a40" order="S"/>
                     <bond atomRefs2="a38 a39" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a57" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a58" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a57" order="S"/>
                     <bond atomRefs2="a47 a61" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a47 a67" order="S"/>
                     <bond atomRefs2="a48 a68" order="S"/>
                     <bond atomRefs2="a48 a58" order="S"/>
                     <bond atomRefs2="a48 a62" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                     <bond atomRefs2="a63 a69" order="S"/>
                  </bondArray>
                  <formula concise="Br5Cu64">
                     <atomArray count="5 64" elementType="Br Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4466.463999999996</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.32">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">10.364410710831562</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">10.364412581405663</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.16843459"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.16843372"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.4184342"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.4184343"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.24343294"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.24343304"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.49343352"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.49343362"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.05728"
                           xFract="0.06820255"
                           y3="0.61225"
                           yFract="0.06825347"
                           z3="5.35373"
                           zFract="0.24835286"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="3.62475"
                           xFract="0.31520636"
                           y3="0.63349"
                           yFract="0.0706213"
                           z3="5.56382"
                           zFract="0.25081458"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="2.3275"
                           xFract="0.06514594"
                           y3="2.8784"
                           yFract="0.32088328"
                           z3="5.55129"
                           zFract="0.25021778"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.93917"
                           xFract="0.31756015"
                           y3="2.87915"
                           yFract="0.32096689"
                           z3="5.70149"
                           zFract="0.24976239"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.20379"
                           xFract="0.14163586"
                           y3="1.28563"
                           yFract="0.14332169"
                           z3="7.56153"
                           zFract="0.34801684"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="4.78972"
                           xFract="0.39090666"
                           y3="1.29818"
                           yFract="0.14472077"
                           z3="7.68353"
                           zFract="0.34628639"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="3.44745"
                           xFract="0.13593021"
                           y3="3.55325"
                           yFract="0.39611538"
                           z3="7.69501"
                           zFract="0.34693459"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.08403"
                           xFract="0.39223502"
                           y3="3.5273"
                           yFract="0.39322248"
                           z3="7.97841"
                           zFract="0.35273224"/>
                     <atom elementType="Cu"
                           id="a17"
                           x3="5.1870"
                           xFract="0.16843382"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a18"
                           x3="6.47529"
                           xFract="0.16843391"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a19"
                           x3="7.77327"
                           xFract="0.4184344"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a20"
                           x3="9.06156"
                           xFract="0.41843449"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="6.34936"
                           xFract="0.24343314"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="7.63765"
                           xFract="0.24343323"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="8.93563"
                           xFract="0.49343372"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="10.22391"
                           xFract="0.49343285"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="3.62838"
                           xFract="0.06599598"
                           y3="5.12757"
                           yFract="0.57162016"
                           z3="5.70234"
                           zFract="0.24982965"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.2130"
                           xFract="0.31756409"
                           y3="5.09647"
                           yFract="0.56815314"
                           z3="5.91981"
                           zFract="0.25267726"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.93773"
                           xFract="0.06989491"
                           y3="7.33658"
                           yFract="0.81788001"
                           z3="5.83757"
                           zFract="0.24873826"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.48897"
                           xFract="0.31629942"
                           y3="7.34036"
                           yFract="0.81830141"
                           z3="5.99328"
                           zFract="0.24871197"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.75944"
                           xFract="0.13698347"
                           y3="5.8181"
                           yFract="0.64860026"
                           z3="7.94726"
                           zFract="0.35125976"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="7.4100"
                           xFract="0.393067"
                           y3="5.82047"
                           yFract="0.64886447"
                           z3="8.09532"
                           zFract="0.35058855"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.0891"
                           xFract="0.13967538"
                           y3="8.0842"
                           yFract="0.90122449"
                           z3="7.95572"
                           zFract="0.34403726"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.67792"
                           xFract="0.39283617"
                           y3="8.03173"
                           yFract="0.89537515"
                           z3="8.13856"
                           zFract="0.34527565"/>
                     <atom elementType="Cu"
                           id="a33"
                           x3="7.78295"
                           xFract="0.66843382"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a34"
                           x3="9.07124"
                           xFract="0.66843391"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a35"
                           x3="10.36922"
                           xFract="0.9184344"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a36"
                           x3="11.65751"
                           xFract="0.91843449"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a37"
                           x3="8.94531"
                           xFract="0.74343314"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a38"
                           x3="10.2336"
                           xFract="0.74343323"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a39"
                           x3="11.53158"
                           xFract="0.99343372"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a40"
                           x3="12.81986"
                           xFract="0.99343285"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a41"
                           x3="6.23051"
                           xFract="0.56841146"
                           y3="0.60971"
                           yFract="0.06797031"
                           z3="5.68108"
                           zFract="0.2488641"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="8.82687"
                           xFract="0.81795135"
                           y3="0.63557"
                           yFract="0.07085318"
                           z3="5.88468"
                           zFract="0.25092874"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="7.50421"
                           xFract="0.56539915"
                           y3="2.88112"
                           yFract="0.3211865"
                           z3="5.85722"
                           zFract="0.24970025"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.11753"
                           xFract="0.81820997"
                           y3="2.8776"
                           yFract="0.32079409"
                           z3="6.02571"
                           zFract="0.2501096"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.4136"
                           xFract="0.64420794"
                           y3="1.30421"
                           yFract="0.14539299"
                           z3="7.85495"
                           zFract="0.34678747"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="9.99477"
                           xFract="0.89463124"
                           y3="1.28772"
                           yFract="0.14355469"
                           z3="8.0399"
                           zFract="0.34808733"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="8.74708"
                           xFract="0.64761507"
                           y3="3.56408"
                           yFract="0.3973227"
                           z3="8.01356"
                           zFract="0.34664386"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.25926"
                           xFract="0.89012725"
                           y3="3.56996"
                           yFract="0.3979782"
                           z3="8.34009"
                           zFract="0.35478087"/>
                     <atom elementType="Cu"
                           id="a49"
                           x3="10.35953"
                           xFract="0.66843401"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.90692"
                           zFract="0.05000395"/>
                     <atom elementType="Cu"
                           id="a50"
                           x3="11.64782"
                           xFract="0.66843411"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.0652"
                           zFract="0.05000409"/>
                     <atom elementType="Cu"
                           id="a51"
                           x3="12.9458"
                           xFract="0.91843459"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="2.0652"
                           zFract="0.05000408"/>
                     <atom elementType="Cu"
                           id="a52"
                           x3="14.23408"
                           xFract="0.91843372"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.22348"
                           zFract="0.05000424"/>
                     <atom elementType="Cu"
                           id="a53"
                           x3="11.52189"
                           xFract="0.74343333"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.1228"
                           zFract="0.15000418"/>
                     <atom elementType="Cu"
                           id="a54"
                           x3="12.81018"
                           xFract="0.74343343"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.28107"
                           zFract="0.15000385"/>
                     <atom elementType="Cu"
                           id="a55"
                           x3="14.10815"
                           xFract="0.99343294"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.28107"
                           zFract="0.15000386"/>
                     <atom elementType="Cu"
                           id="a56"
                           x3="15.39644"
                           xFract="0.99343304"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.43935"
                           zFract="0.150004"/>
                     <atom elementType="Cu"
                           id="a57"
                           x3="8.80904"
                           xFract="0.56671487"
                           y3="5.12878"
                           yFract="0.57175505"
                           z3="6.01655"
                           zFract="0.24969365"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="11.38295"
                           xFract="0.81934399"
                           y3="5.05993"
                           yFract="0.56407967"
                           z3="6.27877"
                           zFract="0.25474515"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="10.11269"
                           xFract="0.56980958"
                           y3="7.34235"
                           yFract="0.81852325"
                           z3="6.15072"
                           zFract="0.24856111"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.66018"
                           xFract="0.81608539"
                           y3="7.34192"
                           yFract="0.81847531"
                           z3="6.30714"
                           zFract="0.24858615"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.96787"
                           xFract="0.63988473"
                           y3="5.82835"
                           yFract="0.64974293"
                           z3="8.21321"
                           zFract="0.34875309"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="12.55486"
                           xFract="0.89027976"
                           y3="5.8225"
                           yFract="0.64909077"
                           z3="8.36722"
                           zFract="0.34855958"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="11.26747"
                           xFract="0.63996632"
                           y3="8.08913"
                           yFract="0.90177409"
                           z3="8.28034"
                           zFract="0.34439248"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.84398"
                           xFract="0.89225481"
                           y3="8.03094"
                           yFract="0.89528708"
                           z3="8.45236"
                           zFract="0.34516579"/>
                     <atom elementType="Br"
                           id="a65"
                           x3="4.28055"
                           xFract="0.2187632"
                           y3="3.5118"
                           yFract="0.39149454"
                           z3="9.88781"
                           zFract="0.44798952"/>
                     <atom elementType="Br"
                           id="a66"
                           x3="5.94681"
                           xFract="0.17100891"
                           y3="7.27226"
                           yFract="0.81070964"
                           z3="10.22082"
                           zFract="0.45260241"/>
                     <atom elementType="Br"
                           id="a67"
                           x3="7.63474"
                           xFract="0.54870911"
                           y3="3.40889"
                           yFract="0.38002216"
                           z3="10.08222"
                           zFract="0.44764919"/>
                     <atom elementType="Br"
                           id="a68"
                           x3="11.11672"
                           xFract="0.91795815"
                           y3="2.82066"
                           yFract="0.31444644"
                           z3="10.63082"
                           zFract="0.46445057"/>
                     <atom elementType="Br"
                           id="a69"
                           x3="11.0842"
                           xFract="0.65810483"
                           y3="7.44347"
                           yFract="0.82979608"
                           z3="10.59391"
                           zFract="0.45508351"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a33" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a4 a33" order="S"/>
                     <bond atomRefs2="a4 a19" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a17" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a34" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a26" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a33" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a41" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a37" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a21" order="S"/>
                     <bond atomRefs2="a8 a26" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a34" order="S"/>
                     <bond atomRefs2="a8 a38" order="S"/>
                     <bond atomRefs2="a8 a37" order="S"/>
                     <bond atomRefs2="a8 a23" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a25" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a26" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a15 a29" order="S"/>
                     <bond atomRefs2="a16 a43" order="S"/>
                     <bond atomRefs2="a16 a67" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a30" order="S"/>
                     <bond atomRefs2="a16 a26" order="S"/>
                     <bond atomRefs2="a16 a47" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a23" order="S"/>
                     <bond atomRefs2="a19 a34" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a26" order="S"/>
                     <bond atomRefs2="a21 a27" order="S"/>
                     <bond atomRefs2="a21 a23" order="S"/>
                     <bond atomRefs2="a22 a28" order="S"/>
                     <bond atomRefs2="a22 a24" order="S"/>
                     <bond atomRefs2="a22 a23" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a24" order="S"/>
                     <bond atomRefs2="a23 a59" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a57" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a30 a47" order="S"/>
                     <bond atomRefs2="a30 a61" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a66" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a61" order="S"/>
                     <bond atomRefs2="a33 a35" order="S"/>
                     <bond atomRefs2="a33 a34" order="S"/>
                     <bond atomRefs2="a33 a37" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a35" order="S"/>
                     <bond atomRefs2="a34 a38" order="S"/>
                     <bond atomRefs2="a34 a37" order="S"/>
                     <bond atomRefs2="a34 a36" order="S"/>
                     <bond atomRefs2="a35 a36" order="S"/>
                     <bond atomRefs2="a35 a39" order="S"/>
                     <bond atomRefs2="a35 a37" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a40" order="S"/>
                     <bond atomRefs2="a36 a39" order="S"/>
                     <bond atomRefs2="a36 a38" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a40" order="S"/>
                     <bond atomRefs2="a38 a39" order="S"/>
                     <bond atomRefs2="a38 a44" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a43 a57" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a58" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a57" order="S"/>
                     <bond atomRefs2="a47 a61" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a47 a67" order="S"/>
                     <bond atomRefs2="a48 a68" order="S"/>
                     <bond atomRefs2="a48 a58" order="S"/>
                     <bond atomRefs2="a48 a62" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                     <bond atomRefs2="a63 a69" order="S"/>
                  </bondArray>
                  <formula concise="Br5Cu64">
                     <atomArray count="5 64" elementType="Br Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4466.463999999996</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.33">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">10.364410710831562</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">10.364412581405663</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.16843459"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.16843372"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.4184342"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.4184343"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.24343294"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.24343304"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.49343352"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.49343362"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.05683"
                           xFract="0.06832731"
                           y3="0.60922"
                           yFract="0.06791569"
                           z3="5.35353"
                           zFract="0.24834979"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="3.62576"
                           xFract="0.31500801"
                           y3="0.63882"
                           yFract="0.07121549"
                           z3="5.54815"
                           zFract="0.25006393"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="2.33668"
                           xFract="0.06614883"
                           y3="2.87632"
                           yFract="0.3206514"
                           z3="5.54543"
                           zFract="0.24991846"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.94072"
                           xFract="0.31741789"
                           y3="2.88441"
                           yFract="0.32155327"
                           z3="5.70744"
                           zFract="0.25002967"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.20399"
                           xFract="0.14117874"
                           y3="1.29421"
                           yFract="0.14427819"
                           z3="7.56055"
                           zFract="0.34795572"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="4.78885"
                           xFract="0.39038665"
                           y3="1.30603"
                           yFract="0.14559588"
                           z3="7.67235"
                           zFract="0.34574866"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="3.44305"
                           xFract="0.13539716"
                           y3="3.55519"
                           yFract="0.39633165"
                           z3="7.68309"
                           zFract="0.34638203"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.08224"
                           xFract="0.39197314"
                           y3="3.5289"
                           yFract="0.39340085"
                           z3="7.99983"
                           zFract="0.35374468"/>
                     <atom elementType="Cu"
                           id="a17"
                           x3="5.1870"
                           xFract="0.16843382"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a18"
                           x3="6.47529"
                           xFract="0.16843391"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a19"
                           x3="7.77327"
                           xFract="0.4184344"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a20"
                           x3="9.06156"
                           xFract="0.41843449"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="6.34936"
                           xFract="0.24343314"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="7.63765"
                           xFract="0.24343323"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="8.93563"
                           xFract="0.49343372"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="10.22391"
                           xFract="0.49343285"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="3.62903"
                           xFract="0.06596719"
                           y3="5.12922"
                           yFract="0.5718041"
                           z3="5.69755"
                           zFract="0.24959918"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.21354"
                           xFract="0.31755353"
                           y3="5.0976"
                           yFract="0.56827911"
                           z3="5.92125"
                           zFract="0.25274171"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.93016"
                           xFract="0.06913983"
                           y3="7.3370"
                           yFract="0.81792683"
                           z3="5.83965"
                           zFract="0.24885747"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.49643"
                           xFract="0.31695223"
                           y3="7.34159"
                           yFract="0.81843853"
                           z3="5.99583"
                           zFract="0.24880863"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.76224"
                           xFract="0.1371675"
                           y3="5.81966"
                           yFract="0.64877417"
                           z3="7.93827"
                           zFract="0.3508252"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="7.40856"
                           xFract="0.3927962"
                           y3="5.82284"
                           yFract="0.64912867"
                           z3="8.08411"
                           zFract="0.3500602"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.0869"
                           xFract="0.14018184"
                           y3="8.07125"
                           yFract="0.89978083"
                           z3="7.99233"
                           zFract="0.34579139"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.67669"
                           xFract="0.39236631"
                           y3="8.03805"
                           yFract="0.8960797"
                           z3="8.14693"
                           zFract="0.34566329"/>
                     <atom elementType="Cu"
                           id="a33"
                           x3="7.78295"
                           xFract="0.66843382"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a34"
                           x3="9.07124"
                           xFract="0.66843391"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a35"
                           x3="10.36922"
                           xFract="0.9184344"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a36"
                           x3="11.65751"
                           xFract="0.91843449"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a37"
                           x3="8.94531"
                           xFract="0.74343314"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a38"
                           x3="10.2336"
                           xFract="0.74343323"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a39"
                           x3="11.53158"
                           xFract="0.99343372"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a40"
                           x3="12.81986"
                           xFract="0.99343285"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a41"
                           x3="6.23127"
                           xFract="0.56839996"
                           y3="0.61124"
                           yFract="0.06814087"
                           z3="5.67883"
                           zFract="0.24875327"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="8.82967"
                           xFract="0.81788216"
                           y3="0.64169"
                           yFract="0.07153543"
                           z3="5.86976"
                           zFract="0.25020697"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="7.50352"
                           xFract="0.56509033"
                           y3="2.88548"
                           yFract="0.32167255"
                           z3="5.86384"
                           zFract="0.25000709"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.11029"
                           xFract="0.81758231"
                           y3="2.8763"
                           yFract="0.32064917"
                           z3="6.02011"
                           zFract="0.24986862"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.4159"
                           xFract="0.64394215"
                           y3="1.3130"
                           yFract="0.1463729"
                           z3="7.84568"
                           zFract="0.34632908"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="9.99507"
                           xFract="0.89415713"
                           y3="1.29678"
                           yFract="0.14456469"
                           z3="8.03864"
                           zFract="0.34801192"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="8.75101"
                           xFract="0.64782892"
                           y3="3.56707"
                           yFract="0.39765603"
                           z3="8.00423"
                           zFract="0.34618762"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.26095"
                           xFract="0.88975307"
                           y3="3.57964"
                           yFract="0.39905733"
                           z3="8.30293"
                           zFract="0.35300775"/>
                     <atom elementType="Cu"
                           id="a49"
                           x3="10.35953"
                           xFract="0.66843401"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.90692"
                           zFract="0.05000395"/>
                     <atom elementType="Cu"
                           id="a50"
                           x3="11.64782"
                           xFract="0.66843411"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.0652"
                           zFract="0.05000409"/>
                     <atom elementType="Cu"
                           id="a51"
                           x3="12.9458"
                           xFract="0.91843459"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="2.0652"
                           zFract="0.05000408"/>
                     <atom elementType="Cu"
                           id="a52"
                           x3="14.23408"
                           xFract="0.91843372"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.22348"
                           zFract="0.05000424"/>
                     <atom elementType="Cu"
                           id="a53"
                           x3="11.52189"
                           xFract="0.74343333"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.1228"
                           zFract="0.15000418"/>
                     <atom elementType="Cu"
                           id="a54"
                           x3="12.81018"
                           xFract="0.74343343"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.28107"
                           zFract="0.15000385"/>
                     <atom elementType="Cu"
                           id="a55"
                           x3="14.10815"
                           xFract="0.99343294"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.28107"
                           zFract="0.15000386"/>
                     <atom elementType="Cu"
                           id="a56"
                           x3="15.39644"
                           xFract="0.99343304"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.43935"
                           zFract="0.150004"/>
                     <atom elementType="Cu"
                           id="a57"
                           x3="8.81036"
                           xFract="0.56675139"
                           y3="5.13042"
                           yFract="0.57193787"
                           z3="6.01288"
                           zFract="0.24951406"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="11.38478"
                           xFract="0.81930709"
                           y3="5.06378"
                           yFract="0.56450886"
                           z3="6.26218"
                           zFract="0.25395123"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="10.10668"
                           xFract="0.56893487"
                           y3="7.34764"
                           yFract="0.81911298"
                           z3="6.15076"
                           zFract="0.2485715"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.66655"
                           xFract="0.8164096"
                           y3="7.34717"
                           yFract="0.81906058"
                           z3="6.30781"
                           zFract="0.24859059"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.97097"
                           xFract="0.63944027"
                           y3="5.84175"
                           yFract="0.65123676"
                           z3="8.20755"
                           zFract="0.3484549"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="12.5540"
                           xFract="0.88942975"
                           y3="5.83631"
                           yFract="0.65063031"
                           z3="8.36086"
                           zFract="0.34823913"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="11.26502"
                           xFract="0.63967674"
                           y3="8.09008"
                           yFract="0.90187999"
                           z3="8.32374"
                           zFract="0.34644426"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.84517"
                           xFract="0.89202888"
                           y3="8.03708"
                           yFract="0.89597157"
                           z3="8.46062"
                           zFract="0.34554155"/>
                     <atom elementType="Br"
                           id="a65"
                           x3="4.26558"
                           xFract="0.21657313"
                           y3="3.52518"
                           yFract="0.39298614"
                           z3="9.89204"
                           zFract="0.44820981"/>
                     <atom elementType="Br"
                           id="a66"
                           x3="5.94835"
                           xFract="0.1737744"
                           y3="7.22514"
                           yFract="0.80545671"
                           z3="10.22489"
                           zFract="0.45286856"/>
                     <atom elementType="Br"
                           id="a67"
                           x3="7.64927"
                           xFract="0.55028191"
                           y3="3.40586"
                           yFract="0.37968438"
                           z3="10.08806"
                           zFract="0.44788767"/>
                     <atom elementType="Br"
                           id="a68"
                           x3="11.12208"
                           xFract="0.92095462"
                           y3="2.77603"
                           yFract="0.3094711"
                           z3="10.57699"
                           zFract="0.46197157"/>
                     <atom elementType="Br"
                           id="a69"
                           x3="11.08097"
                           xFract="0.65983837"
                           y3="7.40663"
                           yFract="0.82568917"
                           z3="10.60511"
                           zFract="0.45568243"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a33" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a4 a33" order="S"/>
                     <bond atomRefs2="a4 a19" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a17" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a34" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a26" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a33" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a41" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a37" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a21" order="S"/>
                     <bond atomRefs2="a8 a26" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a34" order="S"/>
                     <bond atomRefs2="a8 a38" order="S"/>
                     <bond atomRefs2="a8 a37" order="S"/>
                     <bond atomRefs2="a8 a23" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a25" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a26" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a15 a29" order="S"/>
                     <bond atomRefs2="a16 a43" order="S"/>
                     <bond atomRefs2="a16 a67" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a30" order="S"/>
                     <bond atomRefs2="a16 a26" order="S"/>
                     <bond atomRefs2="a16 a47" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a23" order="S"/>
                     <bond atomRefs2="a19 a34" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a26" order="S"/>
                     <bond atomRefs2="a21 a27" order="S"/>
                     <bond atomRefs2="a21 a23" order="S"/>
                     <bond atomRefs2="a22 a28" order="S"/>
                     <bond atomRefs2="a22 a24" order="S"/>
                     <bond atomRefs2="a22 a23" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a24" order="S"/>
                     <bond atomRefs2="a23 a59" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a57" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a30 a47" order="S"/>
                     <bond atomRefs2="a30 a61" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a66" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a61" order="S"/>
                     <bond atomRefs2="a33 a35" order="S"/>
                     <bond atomRefs2="a33 a34" order="S"/>
                     <bond atomRefs2="a33 a37" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a35" order="S"/>
                     <bond atomRefs2="a34 a38" order="S"/>
                     <bond atomRefs2="a34 a37" order="S"/>
                     <bond atomRefs2="a34 a36" order="S"/>
                     <bond atomRefs2="a35 a36" order="S"/>
                     <bond atomRefs2="a35 a39" order="S"/>
                     <bond atomRefs2="a35 a37" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a40" order="S"/>
                     <bond atomRefs2="a36 a39" order="S"/>
                     <bond atomRefs2="a36 a38" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a40" order="S"/>
                     <bond atomRefs2="a38 a39" order="S"/>
                     <bond atomRefs2="a38 a44" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a43 a57" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a58" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a57" order="S"/>
                     <bond atomRefs2="a47 a61" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a47 a67" order="S"/>
                     <bond atomRefs2="a48 a68" order="S"/>
                     <bond atomRefs2="a48 a58" order="S"/>
                     <bond atomRefs2="a48 a62" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                     <bond atomRefs2="a63 a69" order="S"/>
                  </bondArray>
                  <formula concise="Br5Cu64">
                     <atomArray count="5 64" elementType="Br Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4466.463999999996</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.34">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">10.364410710831562</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">10.364412581405663</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.16843459"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.16843372"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.4184342"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.4184343"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.24343294"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.24343304"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.49343352"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.49343362"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.0559"
                           xFract="0.06858337"
                           y3="0.60299"
                           yFract="0.06722117"
                           z3="5.35313"
                           zFract="0.24834401"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="3.62785"
                           xFract="0.31460197"
                           y3="0.64977"
                           yFract="0.07243619"
                           z3="5.51594"
                           zFract="0.24852092"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="2.35555"
                           xFract="0.06821"
                           y3="2.87205"
                           yFract="0.32017538"
                           z3="5.53338"
                           zFract="0.24930299"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.9439"
                           xFract="0.31712499"
                           y3="2.89522"
                           yFract="0.32275837"
                           z3="5.71968"
                           zFract="0.25057955"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.20438"
                           xFract="0.14023687"
                           y3="1.31185"
                           yFract="0.14624469"
                           z3="7.55855"
                           zFract="0.34783084"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="4.78707"
                           xFract="0.38931831"
                           y3="1.32217"
                           yFract="0.14739516"
                           z3="7.64937"
                           zFract="0.34464334"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="3.43402"
                           xFract="0.13430326"
                           y3="3.55917"
                           yFract="0.39677534"
                           z3="7.65859"
                           zFract="0.34524627"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.07856"
                           xFract="0.39143472"
                           y3="3.53219"
                           yFract="0.39376761"
                           z3="8.04385"
                           zFract="0.35582533"/>
                     <atom elementType="Cu"
                           id="a17"
                           x3="5.1870"
                           xFract="0.16843382"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a18"
                           x3="6.47529"
                           xFract="0.16843391"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a19"
                           x3="7.77327"
                           xFract="0.4184344"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a20"
                           x3="9.06156"
                           xFract="0.41843449"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="6.34936"
                           xFract="0.24343314"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="7.63765"
                           xFract="0.24343323"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="8.93563"
                           xFract="0.49343372"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="10.22391"
                           xFract="0.49343285"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="3.63035"
                           xFract="0.06590654"
                           y3="5.13261"
                           yFract="0.57218202"
                           z3="5.6877"
                           zFract="0.24912528"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.21464"
                           xFract="0.31753048"
                           y3="5.09993"
                           yFract="0.56853886"
                           z3="5.92423"
                           zFract="0.25287515"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.91459"
                           xFract="0.0675859"
                           y3="7.33788"
                           yFract="0.81802494"
                           z3="5.84393"
                           zFract="0.24910273"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.51175"
                           xFract="0.31829264"
                           y3="7.34412"
                           yFract="0.81872057"
                           z3="6.00107"
                           zFract="0.24900726"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.76801"
                           xFract="0.137547"
                           y3="5.82287"
                           yFract="0.64913202"
                           z3="7.91981"
                           zFract="0.34993281"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="7.4056"
                           xFract="0.39223964"
                           y3="5.82771"
                           yFract="0.64967158"
                           z3="8.06108"
                           zFract="0.34897475"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.08238"
                           xFract="0.14122371"
                           y3="8.04462"
                           yFract="0.89681213"
                           z3="8.06758"
                           zFract="0.34939691"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.67416"
                           xFract="0.39140096"
                           y3="8.05103"
                           yFract="0.89752671"
                           z3="8.16412"
                           zFract="0.34645941"/>
                     <atom elementType="Cu"
                           id="a33"
                           x3="7.78295"
                           xFract="0.66843382"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a34"
                           x3="9.07124"
                           xFract="0.66843391"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a35"
                           x3="10.36922"
                           xFract="0.9184344"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a36"
                           x3="11.65751"
                           xFract="0.91843449"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a37"
                           x3="8.94531"
                           xFract="0.74343314"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a38"
                           x3="10.2336"
                           xFract="0.74343323"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a39"
                           x3="11.53158"
                           xFract="0.99343372"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a40"
                           x3="12.81986"
                           xFract="0.99343285"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a41"
                           x3="6.23283"
                           xFract="0.56837584"
                           y3="0.61439"
                           yFract="0.06849204"
                           z3="5.67422"
                           zFract="0.24852614"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="8.83543"
                           xFract="0.81774092"
                           y3="0.65426"
                           yFract="0.07293673"
                           z3="5.83911"
                           zFract="0.24872422"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="7.50209"
                           xFract="0.56445399"
                           y3="2.89445"
                           yFract="0.32267253"
                           z3="5.87744"
                           zFract="0.25063747"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.09541"
                           xFract="0.81629332"
                           y3="2.87361"
                           yFract="0.32034929"
                           z3="6.00861"
                           zFract="0.24937383"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.42064"
                           xFract="0.64339745"
                           y3="1.33106"
                           yFract="0.14838622"
                           z3="7.82663"
                           zFract="0.34538704"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="9.99567"
                           xFract="0.89318114"
                           y3="1.3154"
                           yFract="0.14664045"
                           z3="8.03604"
                           zFract="0.34785651"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="8.75907"
                           xFract="0.64826708"
                           y3="3.57321"
                           yFract="0.39834051"
                           z3="7.98507"
                           zFract="0.34525072"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.26442"
                           xFract="0.88898509"
                           y3="3.59951"
                           yFract="0.40127243"
                           z3="8.22653"
                           zFract="0.34936232"/>
                     <atom elementType="Cu"
                           id="a49"
                           x3="10.35953"
                           xFract="0.66843401"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.90692"
                           zFract="0.05000395"/>
                     <atom elementType="Cu"
                           id="a50"
                           x3="11.64782"
                           xFract="0.66843411"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.0652"
                           zFract="0.05000409"/>
                     <atom elementType="Cu"
                           id="a51"
                           x3="12.9458"
                           xFract="0.91843459"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="2.0652"
                           zFract="0.05000408"/>
                     <atom elementType="Cu"
                           id="a52"
                           x3="14.23408"
                           xFract="0.91843372"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.22348"
                           zFract="0.05000424"/>
                     <atom elementType="Cu"
                           id="a53"
                           x3="11.52189"
                           xFract="0.74343333"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.1228"
                           zFract="0.15000418"/>
                     <atom elementType="Cu"
                           id="a54"
                           x3="12.81018"
                           xFract="0.74343343"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.28107"
                           zFract="0.15000385"/>
                     <atom elementType="Cu"
                           id="a55"
                           x3="14.10815"
                           xFract="0.99343294"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.28107"
                           zFract="0.15000386"/>
                     <atom elementType="Cu"
                           id="a56"
                           x3="15.39644"
                           xFract="0.99343304"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.43935"
                           zFract="0.150004"/>
                     <atom elementType="Cu"
                           id="a57"
                           x3="8.81306"
                           xFract="0.5668258"
                           y3="5.13378"
                           yFract="0.57231245"
                           z3="6.00535"
                           zFract="0.24914562"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="11.38856"
                           xFract="0.81923323"
                           y3="5.07169"
                           yFract="0.56539067"
                           z3="6.22807"
                           zFract="0.25231884"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="10.09431"
                           xFract="0.5671355"
                           y3="7.35851"
                           yFract="0.82032476"
                           z3="6.15086"
                           zFract="0.24859375"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.67963"
                           xFract="0.81707424"
                           y3="7.35797"
                           yFract="0.82026456"
                           z3="6.3092"
                           zFract="0.24860035"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.97735"
                           xFract="0.63852766"
                           y3="5.86929"
                           yFract="0.65430691"
                           z3="8.19591"
                           zFract="0.34784168"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="12.55224"
                           xFract="0.88768309"
                           y3="5.8647"
                           yFract="0.65379522"
                           z3="8.34778"
                           zFract="0.34758007"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="11.25997"
                           xFract="0.6390803"
                           y3="8.09203"
                           yFract="0.90209738"
                           z3="8.41295"
                           zFract="0.35066179"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.84762"
                           xFract="0.89156435"
                           y3="8.04971"
                           yFract="0.89737956"
                           z3="8.47762"
                           zFract="0.34631493"/>
                     <atom elementType="Br"
                           id="a65"
                           x3="4.23479"
                           xFract="0.21207083"
                           y3="3.55266"
                           yFract="0.3960496"
                           z3="9.90074"
                           zFract="0.44866296"/>
                     <atom elementType="Br"
                           id="a66"
                           x3="5.95152"
                           xFract="0.17945957"
                           y3="7.12828"
                           yFract="0.79465878"
                           z3="10.23326"
                           zFract="0.45341582"/>
                     <atom elementType="Br"
                           id="a67"
                           x3="7.67915"
                           xFract="0.55351565"
                           y3="3.39964"
                           yFract="0.37899097"
                           z3="10.10009"
                           zFract="0.44837905"/>
                     <atom elementType="Br"
                           id="a68"
                           x3="11.13311"
                           xFract="0.92711526"
                           y3="2.68429"
                           yFract="0.29924394"
                           z3="10.46636"
                           zFract="0.4568768"/>
                     <atom elementType="Br"
                           id="a69"
                           x3="11.07433"
                           xFract="0.66340189"
                           y3="7.3309"
                           yFract="0.81724681"
                           z3="10.62812"
                           zFract="0.45691298"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a33" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a4 a33" order="S"/>
                     <bond atomRefs2="a4 a19" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a17" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a34" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a26" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a33" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a41" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a37" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a21" order="S"/>
                     <bond atomRefs2="a8 a26" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a34" order="S"/>
                     <bond atomRefs2="a8 a38" order="S"/>
                     <bond atomRefs2="a8 a37" order="S"/>
                     <bond atomRefs2="a8 a23" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a25" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a26" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a15 a29" order="S"/>
                     <bond atomRefs2="a16 a43" order="S"/>
                     <bond atomRefs2="a16 a67" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a30" order="S"/>
                     <bond atomRefs2="a16 a26" order="S"/>
                     <bond atomRefs2="a16 a47" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a23" order="S"/>
                     <bond atomRefs2="a19 a34" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a26" order="S"/>
                     <bond atomRefs2="a21 a27" order="S"/>
                     <bond atomRefs2="a21 a23" order="S"/>
                     <bond atomRefs2="a22 a28" order="S"/>
                     <bond atomRefs2="a22 a24" order="S"/>
                     <bond atomRefs2="a22 a23" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a24" order="S"/>
                     <bond atomRefs2="a23 a59" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a57" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a30 a47" order="S"/>
                     <bond atomRefs2="a30 a61" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a66" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a61" order="S"/>
                     <bond atomRefs2="a33 a35" order="S"/>
                     <bond atomRefs2="a33 a34" order="S"/>
                     <bond atomRefs2="a33 a37" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a35" order="S"/>
                     <bond atomRefs2="a34 a38" order="S"/>
                     <bond atomRefs2="a34 a37" order="S"/>
                     <bond atomRefs2="a34 a36" order="S"/>
                     <bond atomRefs2="a35 a36" order="S"/>
                     <bond atomRefs2="a35 a39" order="S"/>
                     <bond atomRefs2="a35 a37" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a40" order="S"/>
                     <bond atomRefs2="a36 a39" order="S"/>
                     <bond atomRefs2="a36 a38" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a40" order="S"/>
                     <bond atomRefs2="a38 a39" order="S"/>
                     <bond atomRefs2="a38 a44" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a43 a57" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a58" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a57" order="S"/>
                     <bond atomRefs2="a47 a61" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a47 a67" order="S"/>
                     <bond atomRefs2="a48 a68" order="S"/>
                     <bond atomRefs2="a48 a58" order="S"/>
                     <bond atomRefs2="a48 a62" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                     <bond atomRefs2="a63 a69" order="S"/>
                  </bondArray>
                  <formula concise="Br5Cu64">
                     <atomArray count="5 64" elementType="Br Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4466.463999999996</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.35">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">10.364410710831562</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">10.364412581405663</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.16843459"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.16843372"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.4184342"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.4184343"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.24343294"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.24343304"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.49343352"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.49343362"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.05506"
                           xFract="0.06862157"
                           y3="0.60084"
                           yFract="0.06698149"
                           z3="5.36922"
                           zFract="0.24910867"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="3.62801"
                           xFract="0.31465687"
                           y3="0.64906"
                           yFract="0.07235704"
                           z3="5.50812"
                           zFract="0.24815293"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="2.35519"
                           xFract="0.06829293"
                           y3="2.86993"
                           yFract="0.31993904"
                           z3="5.51692"
                           zFract="0.24853149"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.95432"
                           xFract="0.31773297"
                           y3="2.90241"
                           yFract="0.3235599"
                           z3="5.71248"
                           zFract="0.250198"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.20349"
                           xFract="0.13983764"
                           y3="1.31749"
                           yFract="0.14687344"
                           z3="7.56691"
                           zFract="0.34821816"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="4.78647"
                           xFract="0.38907761"
                           y3="1.32546"
                           yFract="0.14776193"
                           z3="7.65105"
                           zFract="0.34471879"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="3.44746"
                           xFract="0.1348561"
                           y3="3.57261"
                           yFract="0.39827362"
                           z3="7.65836"
                           zFract="0.3451742"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.07749"
                           xFract="0.39118746"
                           y3="3.53478"
                           yFract="0.39405635"
                           z3="8.06419"
                           zFract="0.35678311"/>
                     <atom elementType="Cu"
                           id="a17"
                           x3="5.1870"
                           xFract="0.16843382"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a18"
                           x3="6.47529"
                           xFract="0.16843391"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a19"
                           x3="7.77327"
                           xFract="0.4184344"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a20"
                           x3="9.06156"
                           xFract="0.41843449"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="6.34936"
                           xFract="0.24343314"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="7.63765"
                           xFract="0.24343323"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="8.93563"
                           xFract="0.49343372"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="10.22391"
                           xFract="0.49343285"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="3.63092"
                           xFract="0.0659522"
                           y3="5.13278"
                           yFract="0.57220097"
                           z3="5.6909"
                           zFract="0.24927423"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.21546"
                           xFract="0.3175531"
                           y3="5.10095"
                           yFract="0.56865257"
                           z3="5.91313"
                           zFract="0.25234772"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.91473"
                           xFract="0.06748837"
                           y3="7.33988"
                           yFract="0.8182479"
                           z3="5.85015"
                           zFract="0.24939226"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.51215"
                           xFract="0.31821358"
                           y3="7.34624"
                           yFract="0.81895691"
                           z3="6.00593"
                           zFract="0.24923171"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.77211"
                           xFract="0.13826541"
                           y3="5.81707"
                           yFract="0.64848544"
                           z3="7.92295"
                           zFract="0.35007872"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="7.40196"
                           xFract="0.39210657"
                           y3="5.82377"
                           yFract="0.64923235"
                           z3="8.06294"
                           zFract="0.34907954"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.0818"
                           xFract="0.14083502"
                           y3="8.05061"
                           yFract="0.89747989"
                           z3="8.07999"
                           zFract="0.34997371"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.67203"
                           xFract="0.39001447"
                           y3="8.07229"
                           yFract="0.89989677"
                           z3="8.16755"
                           zFract="0.34659178"/>
                     <atom elementType="Cu"
                           id="a33"
                           x3="7.78295"
                           xFract="0.66843382"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a34"
                           x3="9.07124"
                           xFract="0.66843391"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a35"
                           x3="10.36922"
                           xFract="0.9184344"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a36"
                           x3="11.65751"
                           xFract="0.91843449"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a37"
                           x3="8.94531"
                           xFract="0.74343314"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a38"
                           x3="10.2336"
                           xFract="0.74343323"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a39"
                           x3="11.53158"
                           xFract="0.99343372"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a40"
                           x3="12.81986"
                           xFract="0.99343285"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a41"
                           x3="6.23343"
                           xFract="0.56825225"
                           y3="0.61766"
                           yFract="0.06885657"
                           z3="5.68672"
                           zFract="0.24910832"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="8.8356"
                           xFract="0.81779512"
                           y3="0.65358"
                           yFract="0.07286093"
                           z3="5.83161"
                           zFract="0.24837124"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="7.49467"
                           xFract="0.56336801"
                           y3="2.90109"
                           yFract="0.32341275"
                           z3="5.87053"
                           zFract="0.25032198"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.09799"
                           xFract="0.81662213"
                           y3="2.87218"
                           yFract="0.32018987"
                           z3="5.99261"
                           zFract="0.24861438"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.42117"
                           xFract="0.64322489"
                           y3="1.33509"
                           yFract="0.14883548"
                           z3="7.82983"
                           zFract="0.34552965"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="9.99588"
                           xFract="0.89282716"
                           y3="1.32214"
                           yFract="0.14739182"
                           z3="8.04489"
                           zFract="0.34826192"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="8.74604"
                           xFract="0.64616069"
                           y3="3.58846"
                           yFract="0.40004058"
                           z3="7.98416"
                           zFract="0.34521995"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.2658"
                           xFract="0.88883972"
                           y3="3.60453"
                           yFract="0.40183206"
                           z3="8.20518"
                           zFract="0.34834331"/>
                     <atom elementType="Cu"
                           id="a49"
                           x3="10.35953"
                           xFract="0.66843401"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.90692"
                           zFract="0.05000395"/>
                     <atom elementType="Cu"
                           id="a50"
                           x3="11.64782"
                           xFract="0.66843411"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.0652"
                           zFract="0.05000409"/>
                     <atom elementType="Cu"
                           id="a51"
                           x3="12.9458"
                           xFract="0.91843459"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="2.0652"
                           zFract="0.05000408"/>
                     <atom elementType="Cu"
                           id="a52"
                           x3="14.23408"
                           xFract="0.91843372"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.22348"
                           zFract="0.05000424"/>
                     <atom elementType="Cu"
                           id="a53"
                           x3="11.52189"
                           xFract="0.74343333"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.1228"
                           zFract="0.15000418"/>
                     <atom elementType="Cu"
                           id="a54"
                           x3="12.81018"
                           xFract="0.74343343"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.28107"
                           zFract="0.15000385"/>
                     <atom elementType="Cu"
                           id="a55"
                           x3="14.10815"
                           xFract="0.99343294"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.28107"
                           zFract="0.15000386"/>
                     <atom elementType="Cu"
                           id="a56"
                           x3="15.39644"
                           xFract="0.99343304"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.43935"
                           zFract="0.150004"/>
                     <atom elementType="Cu"
                           id="a57"
                           x3="8.81288"
                           xFract="0.56677509"
                           y3="5.13438"
                           yFract="0.57237933"
                           z3="6.00935"
                           zFract="0.24933374"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="11.39178"
                           xFract="0.81858214"
                           y3="5.08902"
                           yFract="0.56732261"
                           z3="6.18939"
                           zFract="0.25045686"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="10.09713"
                           xFract="0.56695829"
                           y3="7.36661"
                           yFract="0.82122775"
                           z3="6.15458"
                           zFract="0.24874749"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.67755"
                           xFract="0.81641782"
                           y3="7.36617"
                           yFract="0.8211787"
                           z3="6.31262"
                           zFract="0.24875391"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.98109"
                           xFract="0.63859432"
                           y3="5.8746"
                           yFract="0.65489887"
                           z3="8.1973"
                           zFract="0.34788755"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="12.55008"
                           xFract="0.88712833"
                           y3="5.87093"
                           yFract="0.65448973"
                           z3="8.34716"
                           zFract="0.34754667"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="11.25944"
                           xFract="0.63800785"
                           y3="8.11042"
                           yFract="0.90414749"
                           z3="8.43039"
                           zFract="0.35145489"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.85036"
                           xFract="0.89059975"
                           y3="8.07185"
                           yFract="0.89984772"
                           z3="8.4808"
                           zFract="0.34641999"/>
                     <atom elementType="Br"
                           id="a65"
                           x3="4.22453"
                           xFract="0.2098296"
                           y3="3.57516"
                           yFract="0.3985579"
                           z3="9.89771"
                           zFract="0.44851213"/>
                     <atom elementType="Br"
                           id="a66"
                           x3="5.95459"
                           xFract="0.18329255"
                           y3="7.0646"
                           yFract="0.78755975"
                           z3="10.23678"
                           zFract="0.45367928"/>
                     <atom elementType="Br"
                           id="a67"
                           x3="7.68708"
                           xFract="0.55449322"
                           y3="3.39584"
                           yFract="0.37856735"
                           z3="10.09907"
                           zFract="0.44831443"/>
                     <atom elementType="Br"
                           id="a68"
                           x3="11.14253"
                           xFract="0.93261993"
                           y3="2.60156"
                           yFract="0.29002123"
                           z3="10.36409"
                           zFract="0.4521658"/>
                     <atom elementType="Br"
                           id="a69"
                           x3="11.06957"
                           xFract="0.66632528"
                           y3="7.26997"
                           yFract="0.81045435"
                           z3="10.63861"
                           zFract="0.45752308"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a33" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a4 a33" order="S"/>
                     <bond atomRefs2="a4 a19" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a17" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a34" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a26" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a33" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a41" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a37" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a21" order="S"/>
                     <bond atomRefs2="a8 a26" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a34" order="S"/>
                     <bond atomRefs2="a8 a38" order="S"/>
                     <bond atomRefs2="a8 a37" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a23" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a25" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a26" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a15 a29" order="S"/>
                     <bond atomRefs2="a16 a43" order="S"/>
                     <bond atomRefs2="a16 a67" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a30" order="S"/>
                     <bond atomRefs2="a16 a26" order="S"/>
                     <bond atomRefs2="a16 a47" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a23" order="S"/>
                     <bond atomRefs2="a19 a34" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a26" order="S"/>
                     <bond atomRefs2="a21 a27" order="S"/>
                     <bond atomRefs2="a21 a23" order="S"/>
                     <bond atomRefs2="a22 a28" order="S"/>
                     <bond atomRefs2="a22 a24" order="S"/>
                     <bond atomRefs2="a22 a23" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a24" order="S"/>
                     <bond atomRefs2="a23 a59" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a57" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a30 a61" order="S"/>
                     <bond atomRefs2="a30 a47" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a66" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a61" order="S"/>
                     <bond atomRefs2="a33 a35" order="S"/>
                     <bond atomRefs2="a33 a34" order="S"/>
                     <bond atomRefs2="a33 a37" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a35" order="S"/>
                     <bond atomRefs2="a34 a38" order="S"/>
                     <bond atomRefs2="a34 a37" order="S"/>
                     <bond atomRefs2="a34 a36" order="S"/>
                     <bond atomRefs2="a35 a36" order="S"/>
                     <bond atomRefs2="a35 a39" order="S"/>
                     <bond atomRefs2="a35 a37" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a40" order="S"/>
                     <bond atomRefs2="a36 a39" order="S"/>
                     <bond atomRefs2="a36 a38" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a44" order="S"/>
                     <bond atomRefs2="a38 a40" order="S"/>
                     <bond atomRefs2="a38 a39" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a57" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a58" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a57" order="S"/>
                     <bond atomRefs2="a47 a61" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a47 a67" order="S"/>
                     <bond atomRefs2="a48 a68" order="S"/>
                     <bond atomRefs2="a48 a58" order="S"/>
                     <bond atomRefs2="a48 a62" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                     <bond atomRefs2="a63 a69" order="S"/>
                  </bondArray>
                  <formula concise="Br5Cu64">
                     <atomArray count="5 64" elementType="Br Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4466.463999999996</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.36">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">10.364410710831562</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">10.364412581405663</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.16843459"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.16843372"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.4184342"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.4184343"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.24343294"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.24343304"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.49343352"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.49343362"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.05306"
                           xFract="0.06871367"
                           y3="0.5957"
                           yFract="0.06640848"
                           z3="5.40763"
                           zFract="0.25093404"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="3.62837"
                           xFract="0.31478551"
                           y3="0.64737"
                           yFract="0.07216864"
                           z3="5.48946"
                           zFract="0.24727491"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="2.35431"
                           xFract="0.0684883"
                           y3="2.86488"
                           yFract="0.31937607"
                           z3="5.47763"
                           zFract="0.24668996"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.97917"
                           xFract="0.31918272"
                           y3="2.91956"
                           yFract="0.32547178"
                           z3="5.6953"
                           zFract="0.24928762"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.20137"
                           xFract="0.13888471"
                           y3="1.33096"
                           yFract="0.14837507"
                           z3="7.58685"
                           zFract="0.34914194"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="4.78504"
                           xFract="0.38850402"
                           y3="1.3333"
                           yFract="0.14863593"
                           z3="7.65503"
                           zFract="0.34489748"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="3.47952"
                           xFract="0.13617428"
                           y3="3.60468"
                           yFract="0.40184878"
                           z3="7.6578"
                           zFract="0.34500172"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.07493"
                           xFract="0.39059626"
                           y3="3.54097"
                           yFract="0.39474641"
                           z3="8.11272"
                           zFract="0.35906833"/>
                     <atom elementType="Cu"
                           id="a17"
                           x3="5.1870"
                           xFract="0.16843382"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a18"
                           x3="6.47529"
                           xFract="0.16843391"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a19"
                           x3="7.77327"
                           xFract="0.4184344"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a20"
                           x3="9.06156"
                           xFract="0.41843449"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="6.34936"
                           xFract="0.24343314"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="7.63765"
                           xFract="0.24343323"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="8.93563"
                           xFract="0.49343372"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="10.22391"
                           xFract="0.49343285"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="3.63229"
                           xFract="0.06606241"
                           y3="5.13318"
                           yFract="0.57224556"
                           z3="5.69855"
                           zFract="0.24963031"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.21743"
                           xFract="0.31760859"
                           y3="5.10338"
                           yFract="0.56892346"
                           z3="5.88664"
                           zFract="0.25108899"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.91505"
                           xFract="0.06725386"
                           y3="7.34466"
                           yFract="0.81878077"
                           z3="5.8650"
                           zFract="0.25008352"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.51311"
                           xFract="0.3180265"
                           y3="7.35128"
                           yFract="0.81951876"
                           z3="6.01753"
                           zFract="0.24976746"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.7819"
                           xFract="0.13997975"
                           y3="5.80324"
                           yFract="0.64694367"
                           z3="7.93044"
                           zFract="0.35042672"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="7.39327"
                           xFract="0.3917891"
                           y3="5.81436"
                           yFract="0.64818333"
                           z3="8.06737"
                           zFract="0.3493292"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.0804"
                           xFract="0.13990504"
                           y3="8.06492"
                           yFract="0.89907516"
                           z3="8.1096"
                           zFract="0.35134995"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.66695"
                           xFract="0.38670577"
                           y3="8.12303"
                           yFract="0.90555325"
                           z3="8.17574"
                           zFract="0.34690785"/>
                     <atom elementType="Cu"
                           id="a33"
                           x3="7.78295"
                           xFract="0.66843382"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a34"
                           x3="9.07124"
                           xFract="0.66843391"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a35"
                           x3="10.36922"
                           xFract="0.9184344"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a36"
                           x3="11.65751"
                           xFract="0.91843449"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a37"
                           x3="8.94531"
                           xFract="0.74343314"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a38"
                           x3="10.2336"
                           xFract="0.74343323"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a39"
                           x3="11.53158"
                           xFract="0.99343372"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a40"
                           x3="12.81986"
                           xFract="0.99343285"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a41"
                           x3="6.23486"
                           xFract="0.56795678"
                           y3="0.62547"
                           yFract="0.06972723"
                           z3="5.71654"
                           zFract="0.25049715"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="8.83601"
                           xFract="0.81792526"
                           y3="0.65195"
                           yFract="0.07267921"
                           z3="5.81372"
                           zFract="0.24752928"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="7.47697"
                           xFract="0.56077799"
                           y3="2.91692"
                           yFract="0.32517748"
                           z3="5.85404"
                           zFract="0.24956912"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.10416"
                           xFract="0.81740902"
                           y3="2.86875"
                           yFract="0.3198075"
                           z3="5.95442"
                           zFract="0.24680166"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.42243"
                           xFract="0.64281193"
                           y3="1.34472"
                           yFract="0.14990903"
                           z3="7.83749"
                           zFract="0.3458711"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="9.99636"
                           xFract="0.89198062"
                           y3="1.33822"
                           yFract="0.14918441"
                           z3="8.06602"
                           zFract="0.34922995"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="8.71492"
                           xFract="0.64113171"
                           y3="3.62485"
                           yFract="0.40409733"
                           z3="7.9820"
                           zFract="0.34514713"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.2691"
                           xFract="0.88849456"
                           y3="3.61649"
                           yFract="0.40316536"
                           z3="8.15424"
                           zFract="0.34591202"/>
                     <atom elementType="Cu"
                           id="a49"
                           x3="10.35953"
                           xFract="0.66843401"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.90692"
                           zFract="0.05000395"/>
                     <atom elementType="Cu"
                           id="a50"
                           x3="11.64782"
                           xFract="0.66843411"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.0652"
                           zFract="0.05000409"/>
                     <atom elementType="Cu"
                           id="a51"
                           x3="12.9458"
                           xFract="0.91843459"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="2.0652"
                           zFract="0.05000408"/>
                     <atom elementType="Cu"
                           id="a52"
                           x3="14.23408"
                           xFract="0.91843372"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.22348"
                           zFract="0.05000424"/>
                     <atom elementType="Cu"
                           id="a53"
                           x3="11.52189"
                           xFract="0.74343333"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.1228"
                           zFract="0.15000418"/>
                     <atom elementType="Cu"
                           id="a54"
                           x3="12.81018"
                           xFract="0.74343343"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.28107"
                           zFract="0.15000385"/>
                     <atom elementType="Cu"
                           id="a55"
                           x3="14.10815"
                           xFract="0.99343294"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.28107"
                           zFract="0.15000386"/>
                     <atom elementType="Cu"
                           id="a56"
                           x3="15.39644"
                           xFract="0.99343304"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.43935"
                           zFract="0.150004"/>
                     <atom elementType="Cu"
                           id="a57"
                           x3="8.81244"
                           xFract="0.56665259"
                           y3="5.13582"
                           yFract="0.57253987"
                           z3="6.0189"
                           zFract="0.24978288"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="11.39947"
                           xFract="0.81702872"
                           y3="5.13038"
                           yFract="0.57193342"
                           z3="6.09708"
                           zFract="0.24601322"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="10.10386"
                           xFract="0.56653432"
                           y3="7.38596"
                           yFract="0.82338488"
                           z3="6.16346"
                           zFract="0.24911444"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.6726"
                           xFract="0.81485203"
                           y3="7.38575"
                           yFract="0.82336147"
                           z3="6.32079"
                           zFract="0.2491207"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.99001"
                           xFract="0.63875354"
                           y3="5.88726"
                           yFract="0.6563102"
                           z3="8.20061"
                           zFract="0.34799674"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="12.54492"
                           xFract="0.88580546"
                           y3="5.88577"
                           yFract="0.65614409"
                           z3="8.3457"
                           zFract="0.34746793"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="11.25818"
                           xFract="0.63544879"
                           y3="8.15431"
                           yFract="0.90904034"
                           z3="8.4720"
                           zFract="0.35334712"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.85692"
                           xFract="0.88829961"
                           y3="8.12469"
                           yFract="0.90573831"
                           z3="8.4884"
                           zFract="0.34667115"/>
                     <atom elementType="Br"
                           id="a65"
                           x3="4.20004"
                           xFract="0.20448082"
                           y3="3.62885"
                           yFract="0.40454325"
                           z3="9.89047"
                           zFract="0.44815176"/>
                     <atom elementType="Br"
                           id="a66"
                           x3="5.96191"
                           xFract="0.19244031"
                           y3="6.91261"
                           yFract="0.77061595"
                           z3="10.24521"
                           zFract="0.45430947"/>
                     <atom elementType="Br"
                           id="a67"
                           x3="7.7060"
                           xFract="0.55682578"
                           y3="3.38677"
                           yFract="0.37755623"
                           z3="10.09665"
                           zFract="0.44816088"/>
                     <atom elementType="Br"
                           id="a68"
                           x3="11.16499"
                           xFract="0.94575397"
                           y3="2.40414"
                           yFract="0.2680129"
                           z3="10.12004"
                           zFract="0.44092385"/>
                     <atom elementType="Br"
                           id="a69"
                           x3="11.05821"
                           xFract="0.67330306"
                           y3="7.12454"
                           yFract="0.79424185"
                           z3="10.66365"
                           zFract="0.45897937"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a33" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a4 a33" order="S"/>
                     <bond atomRefs2="a4 a19" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a17" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a34" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a26" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a7 a33" order="S"/>
                     <bond atomRefs2="a7 a41" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a37" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a21" order="S"/>
                     <bond atomRefs2="a8 a26" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a34" order="S"/>
                     <bond atomRefs2="a8 a38" order="S"/>
                     <bond atomRefs2="a8 a37" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a23" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a25" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a26" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a15 a29" order="S"/>
                     <bond atomRefs2="a16 a67" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a30" order="S"/>
                     <bond atomRefs2="a16 a47" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a23" order="S"/>
                     <bond atomRefs2="a19 a34" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a26" order="S"/>
                     <bond atomRefs2="a21 a27" order="S"/>
                     <bond atomRefs2="a21 a23" order="S"/>
                     <bond atomRefs2="a22 a28" order="S"/>
                     <bond atomRefs2="a22 a24" order="S"/>
                     <bond atomRefs2="a22 a23" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a24" order="S"/>
                     <bond atomRefs2="a23 a59" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a57" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a30 a61" order="S"/>
                     <bond atomRefs2="a30 a47" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a66" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a61" order="S"/>
                     <bond atomRefs2="a33 a35" order="S"/>
                     <bond atomRefs2="a33 a34" order="S"/>
                     <bond atomRefs2="a33 a37" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a35" order="S"/>
                     <bond atomRefs2="a34 a38" order="S"/>
                     <bond atomRefs2="a34 a37" order="S"/>
                     <bond atomRefs2="a34 a36" order="S"/>
                     <bond atomRefs2="a35 a36" order="S"/>
                     <bond atomRefs2="a35 a39" order="S"/>
                     <bond atomRefs2="a35 a37" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a40" order="S"/>
                     <bond atomRefs2="a36 a39" order="S"/>
                     <bond atomRefs2="a36 a38" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a44" order="S"/>
                     <bond atomRefs2="a38 a40" order="S"/>
                     <bond atomRefs2="a38 a39" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a57" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a58" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a46 a68" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a57" order="S"/>
                     <bond atomRefs2="a47 a61" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a47 a67" order="S"/>
                     <bond atomRefs2="a48 a68" order="S"/>
                     <bond atomRefs2="a48 a58" order="S"/>
                     <bond atomRefs2="a48 a62" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                     <bond atomRefs2="a63 a69" order="S"/>
                  </bondArray>
                  <formula concise="Br5Cu64">
                     <atomArray count="5 64" elementType="Br Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4466.463999999996</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.37">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">10.364410710831562</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">10.364412581405663</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.16843459"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.16843372"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.4184342"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.4184343"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.24343294"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.24343304"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.49343352"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.49343362"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.05369"
                           xFract="0.06868516"
                           y3="0.59731"
                           yFract="0.06658796"
                           z3="5.39558"
                           zFract="0.25036138"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="3.62826"
                           xFract="0.31474545"
                           y3="0.6479"
                           yFract="0.07222772"
                           z3="5.49531"
                           zFract="0.24755016"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="2.35458"
                           xFract="0.0684261"
                           y3="2.86647"
                           yFract="0.31955332"
                           z3="5.48996"
                           zFract="0.24726788"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.97137"
                           xFract="0.3187275"
                           y3="2.91418"
                           yFract="0.32487202"
                           z3="5.70069"
                           zFract="0.24957325"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.20204"
                           xFract="0.13918437"
                           y3="1.32673"
                           yFract="0.14790351"
                           z3="7.5806"
                           zFract="0.34885239"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="4.78549"
                           xFract="0.38868413"
                           y3="1.33084"
                           yFract="0.14836169"
                           z3="7.65378"
                           zFract="0.34484135"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="3.46946"
                           xFract="0.13576103"
                           y3="3.59461"
                           yFract="0.40072618"
                           z3="7.65798"
                           zFract="0.34505606"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.07573"
                           xFract="0.39078132"
                           y3="3.53903"
                           yFract="0.39453014"
                           z3="8.09749"
                           zFract="0.35835117"/>
                     <atom elementType="Cu"
                           id="a17"
                           x3="5.1870"
                           xFract="0.16843382"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a18"
                           x3="6.47529"
                           xFract="0.16843391"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a19"
                           x3="7.77327"
                           xFract="0.4184344"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a20"
                           x3="9.06156"
                           xFract="0.41843449"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="6.34936"
                           xFract="0.24343314"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="7.63765"
                           xFract="0.24343323"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="8.93563"
                           xFract="0.49343372"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="10.22391"
                           xFract="0.49343285"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="3.63186"
                           xFract="0.06602807"
                           y3="5.13305"
                           yFract="0.57223107"
                           z3="5.69615"
                           zFract="0.2495186"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.21681"
                           xFract="0.31759086"
                           y3="5.10262"
                           yFract="0.56883874"
                           z3="5.89495"
                           zFract="0.25148386"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.91495"
                           xFract="0.06732749"
                           y3="7.34316"
                           yFract="0.81861355"
                           z3="5.86034"
                           zFract="0.2498666"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.51281"
                           xFract="0.31808524"
                           y3="7.3497"
                           yFract="0.81934263"
                           z3="6.01389"
                           zFract="0.24959934"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.77883"
                           xFract="0.13944198"
                           y3="5.80758"
                           yFract="0.64742749"
                           z3="7.92809"
                           zFract="0.35031753"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="7.39599"
                           xFract="0.39188821"
                           y3="5.81731"
                           yFract="0.64851219"
                           z3="8.06598"
                           zFract="0.34925089"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.08083"
                           xFract="0.14019594"
                           y3="8.06043"
                           yFract="0.89857462"
                           z3="8.10031"
                           zFract="0.35091818"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.66854"
                           xFract="0.38774352"
                           y3="8.10711"
                           yFract="0.90377849"
                           z3="8.17317"
                           zFract="0.34680867"/>
                     <atom elementType="Cu"
                           id="a33"
                           x3="7.78295"
                           xFract="0.66843382"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a34"
                           x3="9.07124"
                           xFract="0.66843391"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a35"
                           x3="10.36922"
                           xFract="0.9184344"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a36"
                           x3="11.65751"
                           xFract="0.91843449"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a37"
                           x3="8.94531"
                           xFract="0.74343314"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a38"
                           x3="10.2336"
                           xFract="0.74343323"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a39"
                           x3="11.53158"
                           xFract="0.99343372"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a40"
                           x3="12.81986"
                           xFract="0.99343285"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a41"
                           x3="6.23441"
                           xFract="0.56804933"
                           y3="0.62302"
                           yFract="0.06945411"
                           z3="5.70719"
                           zFract="0.25006169"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="8.83588"
                           xFract="0.81788438"
                           y3="0.65246"
                           yFract="0.07273607"
                           z3="5.81933"
                           zFract="0.24779331"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="7.48252"
                           xFract="0.56159047"
                           y3="2.91195"
                           yFract="0.32462342"
                           z3="5.85921"
                           zFract="0.24980517"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.10223"
                           xFract="0.81716248"
                           y3="2.86983"
                           yFract="0.31992789"
                           z3="5.9664"
                           zFract="0.24737028"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.42204"
                           xFract="0.64294193"
                           y3="1.3417"
                           yFract="0.14957236"
                           z3="7.83509"
                           zFract="0.34576411"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="9.99621"
                           xFract="0.89224599"
                           y3="1.33318"
                           yFract="0.14862256"
                           z3="8.05939"
                           zFract="0.3489262"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="8.72469"
                           xFract="0.64271029"
                           y3="3.61343"
                           yFract="0.40282423"
                           z3="7.98268"
                           zFract="0.34517007"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.26807"
                           xFract="0.88860324"
                           y3="3.61274"
                           yFract="0.40274731"
                           z3="8.17022"
                           zFract="0.3466747"/>
                     <atom elementType="Cu"
                           id="a49"
                           x3="10.35953"
                           xFract="0.66843401"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.90692"
                           zFract="0.05000395"/>
                     <atom elementType="Cu"
                           id="a50"
                           x3="11.64782"
                           xFract="0.66843411"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.0652"
                           zFract="0.05000409"/>
                     <atom elementType="Cu"
                           id="a51"
                           x3="12.9458"
                           xFract="0.91843459"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="2.0652"
                           zFract="0.05000408"/>
                     <atom elementType="Cu"
                           id="a52"
                           x3="14.23408"
                           xFract="0.91843372"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.22348"
                           zFract="0.05000424"/>
                     <atom elementType="Cu"
                           id="a53"
                           x3="11.52189"
                           xFract="0.74343333"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.1228"
                           zFract="0.15000418"/>
                     <atom elementType="Cu"
                           id="a54"
                           x3="12.81018"
                           xFract="0.74343343"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.28107"
                           zFract="0.15000385"/>
                     <atom elementType="Cu"
                           id="a55"
                           x3="14.10815"
                           xFract="0.99343294"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.28107"
                           zFract="0.15000386"/>
                     <atom elementType="Cu"
                           id="a56"
                           x3="15.39644"
                           xFract="0.99343304"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.43935"
                           zFract="0.150004"/>
                     <atom elementType="Cu"
                           id="a57"
                           x3="8.81257"
                           xFract="0.56669014"
                           y3="5.13537"
                           yFract="0.5724897"
                           z3="6.01591"
                           zFract="0.24964228"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="11.39706"
                           xFract="0.81751655"
                           y3="5.1174"
                           yFract="0.57048641"
                           z3="6.12604"
                           zFract="0.2474073"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="10.10175"
                           xFract="0.56666743"
                           y3="7.37989"
                           yFract="0.8227082"
                           z3="6.16067"
                           zFract="0.24899912"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.67415"
                           xFract="0.81534282"
                           y3="7.37961"
                           yFract="0.82267699"
                           z3="6.31823"
                           zFract="0.24900578"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.98721"
                           xFract="0.63870334"
                           y3="5.88329"
                           yFract="0.65586762"
                           z3="8.19957"
                           zFract="0.34796241"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="12.54654"
                           xFract="0.88622083"
                           y3="5.88111"
                           yFract="0.6556246"
                           z3="8.34616"
                           zFract="0.34749273"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="11.25858"
                           xFract="0.63625212"
                           y3="8.14054"
                           yFract="0.90750526"
                           z3="8.45894"
                           zFract="0.35275319"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.85486"
                           xFract="0.88902119"
                           y3="8.10811"
                           yFract="0.90388997"
                           z3="8.48601"
                           zFract="0.34659209"/>
                     <atom elementType="Br"
                           id="a65"
                           x3="4.20772"
                           xFract="0.2061589"
                           y3="3.6120"
                           yFract="0.40266481"
                           z3="9.89274"
                           zFract="0.44826477"/>
                     <atom elementType="Br"
                           id="a66"
                           x3="5.95961"
                           xFract="0.1895697"
                           y3="6.9603"
                           yFract="0.77593242"
                           z3="10.24256"
                           zFract="0.45411151"/>
                     <atom elementType="Br"
                           id="a67"
                           x3="7.70007"
                           xFract="0.55609429"
                           y3="3.38962"
                           yFract="0.37787395"
                           z3="10.09741"
                           zFract="0.44820906"/>
                     <atom elementType="Br"
                           id="a68"
                           x3="11.15794"
                           xFract="0.94163288"
                           y3="2.46608"
                           yFract="0.27491795"
                           z3="10.19661"
                           zFract="0.44445099"/>
                     <atom elementType="Br"
                           id="a69"
                           x3="11.06178"
                           xFract="0.67111427"
                           y3="7.17017"
                           yFract="0.79932867"
                           z3="10.6558"
                           zFract="0.45852273"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a33" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a4 a33" order="S"/>
                     <bond atomRefs2="a4 a19" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a17" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a34" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a26" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a7 a33" order="S"/>
                     <bond atomRefs2="a7 a41" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a37" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a21" order="S"/>
                     <bond atomRefs2="a8 a26" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a34" order="S"/>
                     <bond atomRefs2="a8 a38" order="S"/>
                     <bond atomRefs2="a8 a37" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a23" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a25" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a26" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a15 a29" order="S"/>
                     <bond atomRefs2="a16 a67" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a30" order="S"/>
                     <bond atomRefs2="a16 a47" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a23" order="S"/>
                     <bond atomRefs2="a19 a34" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a26" order="S"/>
                     <bond atomRefs2="a21 a27" order="S"/>
                     <bond atomRefs2="a21 a23" order="S"/>
                     <bond atomRefs2="a22 a28" order="S"/>
                     <bond atomRefs2="a22 a24" order="S"/>
                     <bond atomRefs2="a22 a23" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a24" order="S"/>
                     <bond atomRefs2="a23 a59" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a57" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a30 a61" order="S"/>
                     <bond atomRefs2="a30 a47" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a66" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a61" order="S"/>
                     <bond atomRefs2="a33 a35" order="S"/>
                     <bond atomRefs2="a33 a34" order="S"/>
                     <bond atomRefs2="a33 a37" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a35" order="S"/>
                     <bond atomRefs2="a34 a38" order="S"/>
                     <bond atomRefs2="a34 a37" order="S"/>
                     <bond atomRefs2="a34 a36" order="S"/>
                     <bond atomRefs2="a35 a36" order="S"/>
                     <bond atomRefs2="a35 a39" order="S"/>
                     <bond atomRefs2="a35 a37" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a40" order="S"/>
                     <bond atomRefs2="a36 a39" order="S"/>
                     <bond atomRefs2="a36 a38" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a44" order="S"/>
                     <bond atomRefs2="a38 a40" order="S"/>
                     <bond atomRefs2="a38 a39" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a57" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a58" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a46 a68" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a57" order="S"/>
                     <bond atomRefs2="a47 a61" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a47 a67" order="S"/>
                     <bond atomRefs2="a48 a68" order="S"/>
                     <bond atomRefs2="a48 a58" order="S"/>
                     <bond atomRefs2="a48 a62" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                     <bond atomRefs2="a63 a69" order="S"/>
                  </bondArray>
                  <formula concise="Br5Cu64">
                     <atomArray count="5 64" elementType="Br Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4466.463999999996</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.38">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">10.364410710831562</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">10.364412581405663</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.16843459"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.16843372"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.4184342"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.4184343"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.24343294"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.24343304"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.49343352"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.49343362"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.05317"
                           xFract="0.06863656"
                           y3="0.59728"
                           yFract="0.06658462"
                           z3="5.40684"
                           zFract="0.25089383"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="3.62736"
                           xFract="0.31459903"
                           y3="0.64897"
                           yFract="0.07234701"
                           z3="5.50099"
                           zFract="0.24781878"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="2.3542"
                           xFract="0.06831607"
                           y3="2.86779"
                           yFract="0.31970048"
                           z3="5.48629"
                           zFract="0.24709373"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.97306"
                           xFract="0.31884421"
                           y3="2.91502"
                           yFract="0.32496566"
                           z3="5.69603"
                           zFract="0.24934725"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.2083"
                           xFract="0.13958791"
                           y3="1.33036"
                           yFract="0.14830818"
                           z3="7.58614"
                           zFract="0.34908947"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="4.78454"
                           xFract="0.38827965"
                           y3="1.33647"
                           yFract="0.14898932"
                           z3="7.65765"
                           zFract="0.34501716"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="3.47846"
                           xFract="0.13619509"
                           y3="3.60246"
                           yFract="0.40160129"
                           z3="7.64931"
                           zFract="0.34460819"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.0762"
                           xFract="0.39084619"
                           y3="3.53868"
                           yFract="0.39449112"
                           z3="8.10176"
                           zFract="0.35855173"/>
                     <atom elementType="Cu"
                           id="a17"
                           x3="5.1870"
                           xFract="0.16843382"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a18"
                           x3="6.47529"
                           xFract="0.16843391"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a19"
                           x3="7.77327"
                           xFract="0.4184344"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a20"
                           x3="9.06156"
                           xFract="0.41843449"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="6.34936"
                           xFract="0.24343314"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="7.63765"
                           xFract="0.24343323"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="8.93563"
                           xFract="0.49343372"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="10.22391"
                           xFract="0.49343285"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="3.63074"
                           xFract="0.06578209"
                           y3="5.13553"
                           yFract="0.57250754"
                           z3="5.69988"
                           zFract="0.24969356"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.2175"
                           xFract="0.31740711"
                           y3="5.10713"
                           yFract="0.56934151"
                           z3="5.88897"
                           zFract="0.25119238"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.91837"
                           xFract="0.06762588"
                           y3="7.34374"
                           yFract="0.81867821"
                           z3="5.86675"
                           zFract="0.25015799"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.5101"
                           xFract="0.31777886"
                           y3="7.3505"
                           yFract="0.81943181"
                           z3="6.01883"
                           zFract="0.24983874"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.78036"
                           xFract="0.13947438"
                           y3="5.80966"
                           yFract="0.64765937"
                           z3="7.93527"
                           zFract="0.35064817"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="7.39416"
                           xFract="0.39151807"
                           y3="5.82079"
                           yFract="0.64890014"
                           z3="8.07305"
                           zFract="0.3495837"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.0806"
                           xFract="0.13987328"
                           y3="8.06584"
                           yFract="0.89917773"
                           z3="8.10437"
                           zFract="0.35110124"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.66728"
                           xFract="0.386997"
                           y3="8.11836"
                           yFract="0.90503264"
                           z3="8.17083"
                           zFract="0.34668319"/>
                     <atom elementType="Cu"
                           id="a33"
                           x3="7.78295"
                           xFract="0.66843382"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a34"
                           x3="9.07124"
                           xFract="0.66843391"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a35"
                           x3="10.36922"
                           xFract="0.9184344"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a36"
                           x3="11.65751"
                           xFract="0.91843449"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a37"
                           x3="8.94531"
                           xFract="0.74343314"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a38"
                           x3="10.2336"
                           xFract="0.74343323"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a39"
                           x3="11.53158"
                           xFract="0.99343372"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a40"
                           x3="12.81986"
                           xFract="0.99343285"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a41"
                           x3="6.23488"
                           xFract="0.56788986"
                           y3="0.62671"
                           yFract="0.06986547"
                           z3="5.71652"
                           zFract="0.25049408"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="8.83561"
                           xFract="0.81779442"
                           y3="0.65361"
                           yFract="0.07286427"
                           z3="5.82473"
                           zFract="0.24804677"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="7.48216"
                           xFract="0.56147515"
                           y3="2.9134"
                           yFract="0.32478507"
                           z3="5.85449"
                           zFract="0.24958124"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.10325"
                           xFract="0.81718834"
                           y3="2.87114"
                           yFract="0.32007393"
                           z3="5.9624"
                           zFract="0.24717655"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.42261"
                           xFract="0.6426905"
                           y3="1.34722"
                           yFract="0.15018773"
                           z3="7.84078"
                           zFract="0.34602153"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="9.99003"
                           xFract="0.89142371"
                           y3="1.33723"
                           yFract="0.14907405"
                           z3="8.0645"
                           zFract="0.3491782"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="8.71696"
                           xFract="0.64138388"
                           y3="3.62386"
                           yFract="0.40398696"
                           z3="7.97503"
                           zFract="0.34481426"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.2708"
                           xFract="0.88745665"
                           y3="3.63814"
                           yFract="0.40557889"
                           z3="8.12822"
                           zFract="0.34464412"/>
                     <atom elementType="Cu"
                           id="a49"
                           x3="10.35953"
                           xFract="0.66843401"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.90692"
                           zFract="0.05000395"/>
                     <atom elementType="Cu"
                           id="a50"
                           x3="11.64782"
                           xFract="0.66843411"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.0652"
                           zFract="0.05000409"/>
                     <atom elementType="Cu"
                           id="a51"
                           x3="12.9458"
                           xFract="0.91843459"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="2.0652"
                           zFract="0.05000408"/>
                     <atom elementType="Cu"
                           id="a52"
                           x3="14.23408"
                           xFract="0.91843372"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.22348"
                           zFract="0.05000424"/>
                     <atom elementType="Cu"
                           id="a53"
                           x3="11.52189"
                           xFract="0.74343333"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.1228"
                           zFract="0.15000418"/>
                     <atom elementType="Cu"
                           id="a54"
                           x3="12.81018"
                           xFract="0.74343343"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.28107"
                           zFract="0.15000385"/>
                     <atom elementType="Cu"
                           id="a55"
                           x3="14.10815"
                           xFract="0.99343294"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.28107"
                           zFract="0.15000386"/>
                     <atom elementType="Cu"
                           id="a56"
                           x3="15.39644"
                           xFract="0.99343304"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.43935"
                           zFract="0.150004"/>
                     <atom elementType="Cu"
                           id="a57"
                           x3="8.81379"
                           xFract="0.56664648"
                           y3="5.13828"
                           yFract="0.57281411"
                           z3="6.02023"
                           zFract="0.24983759"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="11.39835"
                           xFract="0.81708316"
                           y3="5.12745"
                           yFract="0.57160678"
                           z3="6.11421"
                           zFract="0.24682901"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="10.10528"
                           xFract="0.56671545"
                           y3="7.38517"
                           yFract="0.82329681"
                           z3="6.16579"
                           zFract="0.24922152"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.67152"
                           xFract="0.81480539"
                           y3="7.38471"
                           yFract="0.82324553"
                           z3="6.32279"
                           zFract="0.24921986"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.99002"
                           xFract="0.63876006"
                           y3="5.88716"
                           yFract="0.65629905"
                           z3="8.20108"
                           zFract="0.34801903"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="12.54461"
                           xFract="0.88580382"
                           y3="5.88526"
                           yFract="0.65608724"
                           z3="8.34553"
                           zFract="0.34746167"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="11.25812"
                           xFract="0.63560514"
                           y3="8.15139"
                           yFract="0.90871482"
                           z3="8.46683"
                           zFract="0.35310841"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.85689"
                           xFract="0.88855049"
                           y3="8.12012"
                           yFract="0.90522885"
                           z3="8.48385"
                           zFract="0.34646433"/>
                     <atom elementType="Br"
                           id="a65"
                           x3="4.20102"
                           xFract="0.20443506"
                           y3="3.63138"
                           yFract="0.40482529"
                           z3="9.90047"
                           zFract="0.44861621"/>
                     <atom elementType="Br"
                           id="a66"
                           x3="5.96494"
                           xFract="0.19261715"
                           y3="6.9147"
                           yFract="0.77084894"
                           z3="10.23212"
                           zFract="0.45368005"/>
                     <atom elementType="Br"
                           id="a67"
                           x3="7.70083"
                           xFract="0.55656925"
                           y3="3.38239"
                           yFract="0.37706795"
                           z3="10.10549"
                           zFract="0.44859991"/>
                     <atom elementType="Br"
                           id="a68"
                           x3="11.16432"
                           xFract="0.94737624"
                           y3="2.37376"
                           yFract="0.26462614"
                           z3="10.13675"
                           zFract="0.44176439"/>
                     <atom elementType="Br"
                           id="a69"
                           x3="11.05862"
                           xFract="0.67380082"
                           y3="7.11629"
                           yFract="0.79332214"
                           z3="10.64872"
                           zFract="0.45828802"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a33" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a4 a33" order="S"/>
                     <bond atomRefs2="a4 a19" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a17" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a34" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a26" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a7 a33" order="S"/>
                     <bond atomRefs2="a7 a41" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a37" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a21" order="S"/>
                     <bond atomRefs2="a8 a26" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a34" order="S"/>
                     <bond atomRefs2="a8 a38" order="S"/>
                     <bond atomRefs2="a8 a37" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a23" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a25" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a26" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a15 a29" order="S"/>
                     <bond atomRefs2="a16 a67" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a30" order="S"/>
                     <bond atomRefs2="a16 a47" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a23" order="S"/>
                     <bond atomRefs2="a19 a34" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a26" order="S"/>
                     <bond atomRefs2="a21 a27" order="S"/>
                     <bond atomRefs2="a21 a23" order="S"/>
                     <bond atomRefs2="a22 a28" order="S"/>
                     <bond atomRefs2="a22 a24" order="S"/>
                     <bond atomRefs2="a22 a23" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a24" order="S"/>
                     <bond atomRefs2="a23 a59" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a57" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a30 a61" order="S"/>
                     <bond atomRefs2="a30 a47" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a66" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a61" order="S"/>
                     <bond atomRefs2="a33 a35" order="S"/>
                     <bond atomRefs2="a33 a34" order="S"/>
                     <bond atomRefs2="a33 a37" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a35" order="S"/>
                     <bond atomRefs2="a34 a38" order="S"/>
                     <bond atomRefs2="a34 a37" order="S"/>
                     <bond atomRefs2="a34 a36" order="S"/>
                     <bond atomRefs2="a35 a36" order="S"/>
                     <bond atomRefs2="a35 a39" order="S"/>
                     <bond atomRefs2="a35 a37" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a40" order="S"/>
                     <bond atomRefs2="a36 a39" order="S"/>
                     <bond atomRefs2="a36 a38" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a44" order="S"/>
                     <bond atomRefs2="a38 a40" order="S"/>
                     <bond atomRefs2="a38 a39" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a57" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a58" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a46 a68" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a57" order="S"/>
                     <bond atomRefs2="a47 a61" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a47 a67" order="S"/>
                     <bond atomRefs2="a48 a68" order="S"/>
                     <bond atomRefs2="a48 a58" order="S"/>
                     <bond atomRefs2="a48 a62" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                     <bond atomRefs2="a63 a69" order="S"/>
                  </bondArray>
                  <formula concise="Br5Cu64">
                     <atomArray count="5 64" elementType="Br Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4466.463999999996</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.39">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">10.364410710831562</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">10.364412581405663</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.16843459"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.16843372"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.4184342"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.4184343"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.24343294"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.24343304"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.49343352"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.49343362"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.05185"
                           xFract="0.06851341"
                           y3="0.5972"
                           yFract="0.0665757"
                           z3="5.43545"
                           zFract="0.25224673"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="3.62508"
                           xFract="0.31422704"
                           y3="0.6517"
                           yFract="0.07265134"
                           z3="5.51541"
                           zFract="0.2485007"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="2.35323"
                           xFract="0.06803572"
                           y3="2.87115"
                           yFract="0.32007505"
                           z3="5.47694"
                           zFract="0.24665007"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.97737"
                           xFract="0.31914256"
                           y3="2.91715"
                           yFract="0.32520312"
                           z3="5.68418"
                           zFract="0.24877254"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.22423"
                           xFract="0.14061689"
                           y3="1.33956"
                           yFract="0.1493338"
                           z3="7.60023"
                           zFract="0.34969248"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="4.78214"
                           xFract="0.3872519"
                           y3="1.3508"
                           yFract="0.15058683"
                           z3="7.66749"
                           zFract="0.34546411"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="3.50135"
                           xFract="0.13730101"
                           y3="3.62239"
                           yFract="0.40382309"
                           z3="7.62729"
                           zFract="0.34347062"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.07739"
                           xFract="0.39101064"
                           y3="3.53779"
                           yFract="0.3943919"
                           z3="8.1126"
                           zFract="0.35906089"/>
                     <atom elementType="Cu"
                           id="a17"
                           x3="5.1870"
                           xFract="0.16843382"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a18"
                           x3="6.47529"
                           xFract="0.16843391"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a19"
                           x3="7.77327"
                           xFract="0.4184344"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a20"
                           x3="9.06156"
                           xFract="0.41843449"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="6.34936"
                           xFract="0.24343314"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="7.63765"
                           xFract="0.24343323"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="8.93563"
                           xFract="0.49343372"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="10.22391"
                           xFract="0.49343285"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="3.6279"
                           xFract="0.06515882"
                           y3="5.14181"
                           yFract="0.57320763"
                           z3="5.70935"
                           zFract="0.25013778"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.21925"
                           xFract="0.31693989"
                           y3="5.11859"
                           yFract="0.57061907"
                           z3="5.87376"
                           zFract="0.25045105"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.92707"
                           xFract="0.06838467"
                           y3="7.34522"
                           yFract="0.8188432"
                           z3="5.88303"
                           zFract="0.25089801"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.50323"
                           xFract="0.31700149"
                           y3="7.35254"
                           yFract="0.81965923"
                           z3="6.03139"
                           zFract="0.25044736"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.78426"
                           xFract="0.1395565"
                           y3="5.81497"
                           yFract="0.64825133"
                           z3="7.95353"
                           zFract="0.351489"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="7.38949"
                           xFract="0.39057575"
                           y3="5.82963"
                           yFract="0.64988562"
                           z3="8.09101"
                           zFract="0.35042922"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.07999"
                           xFract="0.13905076"
                           y3="8.07959"
                           yFract="0.90071057"
                           z3="8.11469"
                           zFract="0.35156662"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.66406"
                           xFract="0.38509699"
                           y3="8.14697"
                           yFract="0.90822208"
                           z3="8.16488"
                           zFract="0.34636416"/>
                     <atom elementType="Cu"
                           id="a33"
                           x3="7.78295"
                           xFract="0.66843382"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a34"
                           x3="9.07124"
                           xFract="0.66843391"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a35"
                           x3="10.36922"
                           xFract="0.9184344"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a36"
                           x3="11.65751"
                           xFract="0.91843449"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a37"
                           x3="8.94531"
                           xFract="0.74343314"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a38"
                           x3="10.2336"
                           xFract="0.74343323"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a39"
                           x3="11.53158"
                           xFract="0.99343372"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a40"
                           x3="12.81986"
                           xFract="0.99343285"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a41"
                           x3="6.23609"
                           xFract="0.56748649"
                           y3="0.63608"
                           yFract="0.07091003"
                           z3="5.74025"
                           zFract="0.2515938"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="8.83492"
                           xFract="0.81756668"
                           y3="0.65651"
                           yFract="0.07318756"
                           z3="5.83844"
                           zFract="0.24869034"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="7.48125"
                           xFract="0.56118283"
                           y3="2.91708"
                           yFract="0.32519531"
                           z3="5.8425"
                           zFract="0.2490124"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.10586"
                           xFract="0.81725516"
                           y3="2.87448"
                           yFract="0.32044628"
                           z3="5.95222"
                           zFract="0.24668346"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.42408"
                           xFract="0.64205405"
                           y3="1.36124"
                           yFract="0.15175068"
                           z3="7.85526"
                           zFract="0.3466766"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="9.97431"
                           xFract="0.88933217"
                           y3="1.34753"
                           yFract="0.15022229"
                           z3="8.07747"
                           zFract="0.34981789"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="8.69731"
                           xFract="0.63801118"
                           y3="3.65039"
                           yFract="0.40694452"
                           z3="7.95559"
                           zFract="0.34391006"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.27774"
                           xFract="0.88454185"
                           y3="3.70271"
                           yFract="0.41277714"
                           z3="8.02144"
                           zFract="0.33948162"/>
                     <atom elementType="Cu"
                           id="a49"
                           x3="10.35953"
                           xFract="0.66843401"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.90692"
                           zFract="0.05000395"/>
                     <atom elementType="Cu"
                           id="a50"
                           x3="11.64782"
                           xFract="0.66843411"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.0652"
                           zFract="0.05000409"/>
                     <atom elementType="Cu"
                           id="a51"
                           x3="12.9458"
                           xFract="0.91843459"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="2.0652"
                           zFract="0.05000408"/>
                     <atom elementType="Cu"
                           id="a52"
                           x3="14.23408"
                           xFract="0.91843372"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.22348"
                           zFract="0.05000424"/>
                     <atom elementType="Cu"
                           id="a53"
                           x3="11.52189"
                           xFract="0.74343333"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.1228"
                           zFract="0.15000418"/>
                     <atom elementType="Cu"
                           id="a54"
                           x3="12.81018"
                           xFract="0.74343343"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.28107"
                           zFract="0.15000385"/>
                     <atom elementType="Cu"
                           id="a55"
                           x3="14.10815"
                           xFract="0.99343294"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.28107"
                           zFract="0.15000386"/>
                     <atom elementType="Cu"
                           id="a56"
                           x3="15.39644"
                           xFract="0.99343304"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.43935"
                           zFract="0.150004"/>
                     <atom elementType="Cu"
                           id="a57"
                           x3="8.81689"
                           xFract="0.56653465"
                           y3="5.14569"
                           yFract="0.57364017"
                           z3="6.03121"
                           zFract="0.25033397"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="11.40161"
                           xFract="0.81598003"
                           y3="5.15299"
                           yFract="0.57445397"
                           z3="6.08414"
                           zFract="0.24535917"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="10.11425"
                           xFract="0.5668362"
                           y3="7.39861"
                           yFract="0.8247951"
                           z3="6.1788"
                           zFract="0.24978661"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.66482"
                           xFract="0.81343694"
                           y3="7.39769"
                           yFract="0.82469254"
                           z3="6.33438"
                           zFract="0.24976397"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.99717"
                           xFract="0.63890534"
                           y3="5.89699"
                           yFract="0.6573949"
                           z3="8.20491"
                           zFract="0.34816257"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="12.53971"
                           xFract="0.88474486"
                           y3="5.8958"
                           yFract="0.65726224"
                           z3="8.34393"
                           zFract="0.34738276"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="11.25697"
                           xFract="0.63396243"
                           y3="8.17897"
                           yFract="0.91178943"
                           z3="8.48689"
                           zFract="0.35401148"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.86206"
                           xFract="0.88735432"
                           y3="8.15066"
                           yFract="0.90863344"
                           z3="8.47834"
                           zFract="0.34613862"/>
                     <atom elementType="Br"
                           id="a65"
                           x3="4.18399"
                           xFract="0.20005395"
                           y3="3.68063"
                           yFract="0.41031567"
                           z3="9.9201"
                           zFract="0.44950864"/>
                     <atom elementType="Br"
                           id="a66"
                           x3="5.97848"
                           xFract="0.20036259"
                           y3="6.79879"
                           yFract="0.75792732"
                           z3="10.20555"
                           zFract="0.4525818"/>
                     <atom elementType="Br"
                           id="a67"
                           x3="7.70278"
                           xFract="0.55777729"
                           y3="3.36403"
                           yFract="0.37502118"
                           z3="10.12604"
                           zFract="0.44959387"/>
                     <atom elementType="Br"
                           id="a68"
                           x3="11.18053"
                           xFract="0.9619741"
                           y3="2.1391"
                           yFract="0.23846631"
                           z3="9.98461"
                           zFract="0.43493619"/>
                     <atom elementType="Br"
                           id="a69"
                           x3="11.05058"
                           xFract="0.68062918"
                           y3="6.97933"
                           yFract="0.77805388"
                           z3="10.63075"
                           zFract="0.45769268"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a33" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a4 a33" order="S"/>
                     <bond atomRefs2="a4 a19" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a17" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a34" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a26" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a7 a33" order="S"/>
                     <bond atomRefs2="a7 a41" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a37" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a21" order="S"/>
                     <bond atomRefs2="a8 a26" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a34" order="S"/>
                     <bond atomRefs2="a8 a38" order="S"/>
                     <bond atomRefs2="a8 a37" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a23" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a25" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a26" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a15 a29" order="S"/>
                     <bond atomRefs2="a16 a67" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a30" order="S"/>
                     <bond atomRefs2="a16 a47" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a23" order="S"/>
                     <bond atomRefs2="a19 a34" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a26" order="S"/>
                     <bond atomRefs2="a21 a27" order="S"/>
                     <bond atomRefs2="a21 a23" order="S"/>
                     <bond atomRefs2="a22 a28" order="S"/>
                     <bond atomRefs2="a22 a24" order="S"/>
                     <bond atomRefs2="a22 a23" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a24" order="S"/>
                     <bond atomRefs2="a23 a59" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a57" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a30 a61" order="S"/>
                     <bond atomRefs2="a30 a47" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a66" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a61" order="S"/>
                     <bond atomRefs2="a33 a35" order="S"/>
                     <bond atomRefs2="a33 a34" order="S"/>
                     <bond atomRefs2="a33 a37" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a35" order="S"/>
                     <bond atomRefs2="a34 a38" order="S"/>
                     <bond atomRefs2="a34 a37" order="S"/>
                     <bond atomRefs2="a34 a36" order="S"/>
                     <bond atomRefs2="a35 a36" order="S"/>
                     <bond atomRefs2="a35 a39" order="S"/>
                     <bond atomRefs2="a35 a37" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a40" order="S"/>
                     <bond atomRefs2="a36 a39" order="S"/>
                     <bond atomRefs2="a36 a38" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a44" order="S"/>
                     <bond atomRefs2="a38 a40" order="S"/>
                     <bond atomRefs2="a38 a39" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a57" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a58" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a46 a68" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a47 a57" order="S"/>
                     <bond atomRefs2="a47 a61" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a47 a67" order="S"/>
                     <bond atomRefs2="a48 a68" order="S"/>
                     <bond atomRefs2="a48 a58" order="S"/>
                     <bond atomRefs2="a48 a62" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                     <bond atomRefs2="a63 a69" order="S"/>
                  </bondArray>
                  <formula concise="Br5Cu64">
                     <atomArray count="5 64" elementType="Br Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4466.463999999996</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.40">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">10.364410710831562</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">10.364412581405663</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.16843459"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.16843372"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.4184342"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.4184343"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.24343294"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.24343304"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.49343352"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.49343362"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.0526"
                           xFract="0.06858368"
                           y3="0.59724"
                           yFract="0.06658016"
                           z3="5.41928"
                           zFract="0.25148209"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="3.62637"
                           xFract="0.31443781"
                           y3="0.65015"
                           yFract="0.07247855"
                           z3="5.50726"
                           zFract="0.2481153"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="2.35378"
                           xFract="0.0681944"
                           y3="2.86925"
                           yFract="0.31986324"
                           z3="5.48222"
                           zFract="0.2469006"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.97494"
                           xFract="0.3189743"
                           y3="2.91595"
                           yFract="0.32506934"
                           z3="5.69088"
                           zFract="0.24909745"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.21523"
                           xFract="0.14003568"
                           y3="1.33436"
                           yFract="0.1487541"
                           z3="7.59227"
                           zFract="0.34935182"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="4.7835"
                           xFract="0.38783316"
                           y3="1.3427"
                           yFract="0.14968384"
                           z3="7.66193"
                           zFract="0.34521156"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="3.48841"
                           xFract="0.13667601"
                           y3="3.61112"
                           yFract="0.40256671"
                           z3="7.63974"
                           zFract="0.34411379"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.07672"
                           xFract="0.39091756"
                           y3="3.5383"
                           yFract="0.39444875"
                           z3="8.10647"
                           zFract="0.35877294"/>
                     <atom elementType="Cu"
                           id="a17"
                           x3="5.1870"
                           xFract="0.16843382"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a18"
                           x3="6.47529"
                           xFract="0.16843391"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a19"
                           x3="7.77327"
                           xFract="0.4184344"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a20"
                           x3="9.06156"
                           xFract="0.41843449"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="6.34936"
                           xFract="0.24343314"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="7.63765"
                           xFract="0.24343323"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="8.93563"
                           xFract="0.49343372"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="10.22391"
                           xFract="0.49343285"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="3.62951"
                           xFract="0.06551159"
                           y3="5.13826"
                           yFract="0.57281188"
                           z3="5.7040"
                           zFract="0.24988681"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.21826"
                           xFract="0.31720403"
                           y3="5.11211"
                           yFract="0.56989668"
                           z3="5.88236"
                           zFract="0.25087021"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.92215"
                           xFract="0.06795517"
                           y3="7.34439"
                           yFract="0.81875067"
                           z3="5.87383"
                           zFract="0.25047981"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.50711"
                           xFract="0.31744041"
                           y3="7.35139"
                           yFract="0.81953103"
                           z3="6.02429"
                           zFract="0.25010332"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.78206"
                           xFract="0.13951043"
                           y3="5.81197"
                           yFract="0.64791689"
                           z3="7.94321"
                           zFract="0.35101378"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="7.39213"
                           xFract="0.3911086"
                           y3="5.82463"
                           yFract="0.64932822"
                           z3="8.08086"
                           zFract="0.34995139"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.08033"
                           xFract="0.13951566"
                           y3="8.07181"
                           yFract="0.89984326"
                           z3="8.10886"
                           zFract="0.35130375"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.66588"
                           xFract="0.38617086"
                           y3="8.1308"
                           yFract="0.90641945"
                           z3="8.16824"
                           zFract="0.34654434"/>
                     <atom elementType="Cu"
                           id="a33"
                           x3="7.78295"
                           xFract="0.66843382"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a34"
                           x3="9.07124"
                           xFract="0.66843391"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a35"
                           x3="10.36922"
                           xFract="0.9184344"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a36"
                           x3="11.65751"
                           xFract="0.91843449"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a37"
                           x3="8.94531"
                           xFract="0.74343314"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a38"
                           x3="10.2336"
                           xFract="0.74343323"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a39"
                           x3="11.53158"
                           xFract="0.99343372"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a40"
                           x3="12.81986"
                           xFract="0.99343285"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a41"
                           x3="6.23541"
                           xFract="0.56771508"
                           y3="0.63078"
                           yFract="0.07031919"
                           z3="5.72684"
                           zFract="0.25097234"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="8.83531"
                           xFract="0.81769545"
                           y3="0.65487"
                           yFract="0.07300474"
                           z3="5.83069"
                           zFract="0.24832655"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="7.48176"
                           xFract="0.56134764"
                           y3="2.9150"
                           yFract="0.32496343"
                           z3="5.84928"
                           zFract="0.24933408"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.10439"
                           xFract="0.81721801"
                           y3="2.87259"
                           yFract="0.32023558"
                           z3="5.95797"
                           zFract="0.24696196"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.42325"
                           xFract="0.64241418"
                           y3="1.35331"
                           yFract="0.15086664"
                           z3="7.84707"
                           zFract="0.34630608"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="9.9832"
                           xFract="0.89051471"
                           y3="1.34171"
                           yFract="0.14957348"
                           z3="8.07014"
                           zFract="0.34945635"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="8.70841"
                           xFract="0.63991657"
                           y3="3.6354"
                           yFract="0.40527344"
                           z3="7.96658"
                           zFract="0.34442124"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.27382"
                           xFract="0.88618981"
                           y3="3.66621"
                           yFract="0.40870813"
                           z3="8.08179"
                           zFract="0.34239937"/>
                     <atom elementType="Cu"
                           id="a49"
                           x3="10.35953"
                           xFract="0.66843401"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.90692"
                           zFract="0.05000395"/>
                     <atom elementType="Cu"
                           id="a50"
                           x3="11.64782"
                           xFract="0.66843411"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.0652"
                           zFract="0.05000409"/>
                     <atom elementType="Cu"
                           id="a51"
                           x3="12.9458"
                           xFract="0.91843459"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="2.0652"
                           zFract="0.05000408"/>
                     <atom elementType="Cu"
                           id="a52"
                           x3="14.23408"
                           xFract="0.91843372"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.22348"
                           zFract="0.05000424"/>
                     <atom elementType="Cu"
                           id="a53"
                           x3="11.52189"
                           xFract="0.74343333"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.1228"
                           zFract="0.15000418"/>
                     <atom elementType="Cu"
                           id="a54"
                           x3="12.81018"
                           xFract="0.74343343"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.28107"
                           zFract="0.15000385"/>
                     <atom elementType="Cu"
                           id="a55"
                           x3="14.10815"
                           xFract="0.99343294"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.28107"
                           zFract="0.15000386"/>
                     <atom elementType="Cu"
                           id="a56"
                           x3="15.39644"
                           xFract="0.99343304"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.43935"
                           zFract="0.150004"/>
                     <atom elementType="Cu"
                           id="a57"
                           x3="8.81514"
                           xFract="0.56659817"
                           y3="5.1415"
                           yFract="0.57317307"
                           z3="6.0250"
                           zFract="0.25005322"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="11.39977"
                           xFract="0.81660403"
                           y3="5.13855"
                           yFract="0.5728442"
                           z3="6.10113"
                           zFract="0.24618966"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="10.10918"
                           xFract="0.56676814"
                           y3="7.39101"
                           yFract="0.82394785"
                           z3="6.17144"
                           zFract="0.24946691"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.6686"
                           xFract="0.81420993"
                           y3="7.39035"
                           yFract="0.82387428"
                           z3="6.32783"
                           zFract="0.2494565"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.99313"
                           xFract="0.63882357"
                           y3="5.89143"
                           yFract="0.65677507"
                           z3="8.20275"
                           zFract="0.34808167"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="12.54248"
                           xFract="0.88534359"
                           y3="5.88984"
                           yFract="0.65659782"
                           z3="8.34483"
                           zFract="0.34742716"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="11.25762"
                           xFract="0.63489099"
                           y3="8.16338"
                           yFract="0.91005146"
                           z3="8.47555"
                           zFract="0.35350097"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.85914"
                           xFract="0.88803053"
                           y3="8.1334"
                           yFract="0.9067093"
                           z3="8.48145"
                           zFract="0.3463225"/>
                     <atom elementType="Br"
                           id="a65"
                           x3="4.19362"
                           xFract="0.20253082"
                           y3="3.65279"
                           yFract="0.40721207"
                           z3="9.9090"
                           zFract="0.44900399"/>
                     <atom elementType="Br"
                           id="a66"
                           x3="5.97082"
                           xFract="0.1959843"
                           y3="6.8643"
                           yFract="0.76523036"
                           z3="10.22057"
                           zFract="0.45320268"/>
                     <atom elementType="Br"
                           id="a67"
                           x3="7.70168"
                           xFract="0.55709455"
                           y3="3.37441"
                           yFract="0.37617834"
                           z3="10.11443"
                           zFract="0.4490323"/>
                     <atom elementType="Br"
                           id="a68"
                           x3="11.17137"
                           xFract="0.953723"
                           y3="2.27174"
                           yFract="0.25325298"
                           z3="10.0706"
                           zFract="0.43879549"/>
                     <atom elementType="Br"
                           id="a69"
                           x3="11.05512"
                           xFract="0.67676938"
                           y3="7.05674"
                           yFract="0.78668352"
                           z3="10.64091"
                           zFract="0.45802933"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a33" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a4 a33" order="S"/>
                     <bond atomRefs2="a4 a19" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a17" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a34" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a26" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a7 a33" order="S"/>
                     <bond atomRefs2="a7 a41" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a37" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a21" order="S"/>
                     <bond atomRefs2="a8 a26" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a34" order="S"/>
                     <bond atomRefs2="a8 a38" order="S"/>
                     <bond atomRefs2="a8 a37" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a23" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a25" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a26" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a15 a29" order="S"/>
                     <bond atomRefs2="a16 a67" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a30" order="S"/>
                     <bond atomRefs2="a16 a47" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a23" order="S"/>
                     <bond atomRefs2="a19 a34" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a26" order="S"/>
                     <bond atomRefs2="a21 a27" order="S"/>
                     <bond atomRefs2="a21 a23" order="S"/>
                     <bond atomRefs2="a22 a28" order="S"/>
                     <bond atomRefs2="a22 a24" order="S"/>
                     <bond atomRefs2="a22 a23" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a24" order="S"/>
                     <bond atomRefs2="a23 a59" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a57" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a30 a61" order="S"/>
                     <bond atomRefs2="a30 a47" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a66" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a61" order="S"/>
                     <bond atomRefs2="a33 a35" order="S"/>
                     <bond atomRefs2="a33 a34" order="S"/>
                     <bond atomRefs2="a33 a37" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a35" order="S"/>
                     <bond atomRefs2="a34 a38" order="S"/>
                     <bond atomRefs2="a34 a37" order="S"/>
                     <bond atomRefs2="a34 a36" order="S"/>
                     <bond atomRefs2="a35 a36" order="S"/>
                     <bond atomRefs2="a35 a39" order="S"/>
                     <bond atomRefs2="a35 a37" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a40" order="S"/>
                     <bond atomRefs2="a36 a39" order="S"/>
                     <bond atomRefs2="a36 a38" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a44" order="S"/>
                     <bond atomRefs2="a38 a40" order="S"/>
                     <bond atomRefs2="a38 a39" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a57" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a58" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a46 a68" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a57" order="S"/>
                     <bond atomRefs2="a47 a61" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a47 a67" order="S"/>
                     <bond atomRefs2="a48 a68" order="S"/>
                     <bond atomRefs2="a48 a58" order="S"/>
                     <bond atomRefs2="a48 a62" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                     <bond atomRefs2="a63 a69" order="S"/>
                  </bondArray>
                  <formula concise="Br5Cu64">
                     <atomArray count="5 64" elementType="Br Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4466.463999999996</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.41">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">10.364410710831562</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">10.364412581405663</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.16843459"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.16843372"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.4184342"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.4184343"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.24343294"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.24343304"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.49343352"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.49343362"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.05276"
                           xFract="0.06841312"
                           y3="0.60059"
                           yFract="0.06695362"
                           z3="5.41297"
                           zFract="0.25117852"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="3.62473"
                           xFract="0.3140677"
                           y3="0.65396"
                           yFract="0.07290329"
                           z3="5.51673"
                           zFract="0.24856017"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="2.35705"
                           xFract="0.0684172"
                           y3="2.87093"
                           yFract="0.32005052"
                           z3="5.49018"
                           zFract="0.24726367"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.96741"
                           xFract="0.31851074"
                           y3="2.91119"
                           yFract="0.3245387"
                           z3="5.69327"
                           zFract="0.24923982"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.22877"
                           xFract="0.14140837"
                           y3="1.33321"
                           yFract="0.1486259"
                           z3="7.58318"
                           zFract="0.34888608"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="4.78467"
                           xFract="0.38765028"
                           y3="1.34803"
                           yFract="0.15027803"
                           z3="7.66483"
                           zFract="0.34533601"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="3.48627"
                           xFract="0.13671737"
                           y3="3.60665"
                           yFract="0.4020684"
                           z3="7.63847"
                           zFract="0.34406755"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.07762"
                           xFract="0.39108508"
                           y3="3.53685"
                           yFract="0.39428711"
                           z3="8.09402"
                           zFract="0.35818575"/>
                     <atom elementType="Cu"
                           id="a17"
                           x3="5.1870"
                           xFract="0.16843382"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a18"
                           x3="6.47529"
                           xFract="0.16843391"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a19"
                           x3="7.77327"
                           xFract="0.4184344"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a20"
                           x3="9.06156"
                           xFract="0.41843449"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="6.34936"
                           xFract="0.24343314"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="7.63765"
                           xFract="0.24343323"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="8.93563"
                           xFract="0.49343372"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="10.22391"
                           xFract="0.49343285"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="3.62897"
                           xFract="0.06514231"
                           y3="5.14397"
                           yFract="0.57344843"
                           z3="5.70216"
                           zFract="0.24979207"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.21828"
                           xFract="0.31708435"
                           y3="5.1143"
                           yFract="0.57014082"
                           z3="5.88952"
                           zFract="0.25120409"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.92321"
                           xFract="0.06808818"
                           y3="7.34384"
                           yFract="0.81868936"
                           z3="5.8739"
                           zFract="0.25048098"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.50644"
                           xFract="0.31740729"
                           y3="7.35082"
                           yFract="0.81946748"
                           z3="6.02438"
                           zFract="0.25011045"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.77901"
                           xFract="0.13872415"
                           y3="5.82082"
                           yFract="0.64890349"
                           z3="7.94811"
                           zFract="0.35123883"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="7.39382"
                           xFract="0.39076719"
                           y3="5.83372"
                           yFract="0.65034157"
                           z3="8.08637"
                           zFract="0.35019112"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.08027"
                           xFract="0.13961204"
                           y3="8.06997"
                           yFract="0.89963814"
                           z3="8.10566"
                           zFract="0.35115612"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.66765"
                           xFract="0.38690227"
                           y3="8.12071"
                           yFract="0.90529462"
                           z3="8.16412"
                           zFract="0.34636183"/>
                     <atom elementType="Cu"
                           id="a33"
                           x3="7.78295"
                           xFract="0.66843382"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a34"
                           x3="9.07124"
                           xFract="0.66843391"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a35"
                           x3="10.36922"
                           xFract="0.9184344"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a36"
                           x3="11.65751"
                           xFract="0.91843449"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a37"
                           x3="8.94531"
                           xFract="0.74343314"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a38"
                           x3="10.2336"
                           xFract="0.74343323"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a39"
                           x3="11.53158"
                           xFract="0.99343372"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a40"
                           x3="12.81986"
                           xFract="0.99343285"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a41"
                           x3="6.23547"
                           xFract="0.56762092"
                           y3="0.63258"
                           yFract="0.07051985"
                           z3="5.72302"
                           zFract="0.25078905"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="8.83624"
                           xFract="0.8175449"
                           y3="0.6592"
                           yFract="0.07348744"
                           z3="5.84022"
                           zFract="0.24876597"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="7.48815"
                           xFract="0.56218078"
                           y3="2.91112"
                           yFract="0.32453089"
                           z3="5.85167"
                           zFract="0.24943481"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.10012"
                           xFract="0.81674028"
                           y3="2.87376"
                           yFract="0.32036601"
                           z3="5.96525"
                           zFract="0.24731558"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.42202"
                           xFract="0.6419993"
                           y3="1.35864"
                           yFract="0.15146083"
                           z3="7.85111"
                           zFract="0.34649121"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="9.97215"
                           xFract="0.88950821"
                           y3="1.3406"
                           yFract="0.14944974"
                           z3="8.06008"
                           zFract="0.34901576"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="8.71095"
                           xFract="0.64037478"
                           y3="3.63157"
                           yFract="0.40484647"
                           z3="7.96693"
                           zFract="0.34443681"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.27405"
                           xFract="0.88568117"
                           y3="3.67577"
                           yFract="0.40977387"
                           z3="8.07711"
                           zFract="0.34216208"/>
                     <atom elementType="Cu"
                           id="a49"
                           x3="10.35953"
                           xFract="0.66843401"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.90692"
                           zFract="0.05000395"/>
                     <atom elementType="Cu"
                           id="a50"
                           x3="11.64782"
                           xFract="0.66843411"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.0652"
                           zFract="0.05000409"/>
                     <atom elementType="Cu"
                           id="a51"
                           x3="12.9458"
                           xFract="0.91843459"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="2.0652"
                           zFract="0.05000408"/>
                     <atom elementType="Cu"
                           id="a52"
                           x3="14.23408"
                           xFract="0.91843372"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.22348"
                           zFract="0.05000424"/>
                     <atom elementType="Cu"
                           id="a53"
                           x3="11.52189"
                           xFract="0.74343333"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.1228"
                           zFract="0.15000418"/>
                     <atom elementType="Cu"
                           id="a54"
                           x3="12.81018"
                           xFract="0.74343343"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.28107"
                           zFract="0.15000385"/>
                     <atom elementType="Cu"
                           id="a55"
                           x3="14.10815"
                           xFract="0.99343294"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.28107"
                           zFract="0.15000386"/>
                     <atom elementType="Cu"
                           id="a56"
                           x3="15.39644"
                           xFract="0.99343304"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.43935"
                           zFract="0.150004"/>
                     <atom elementType="Cu"
                           id="a57"
                           x3="8.81641"
                           xFract="0.56640496"
                           y3="5.14719"
                           yFract="0.57380739"
                           z3="6.02355"
                           zFract="0.24997168"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="11.3986"
                           xFract="0.81651592"
                           y3="5.1381"
                           yFract="0.57279404"
                           z3="6.11943"
                           zFract="0.24705663"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="10.10829"
                           xFract="0.56675319"
                           y3="7.38973"
                           yFract="0.82380516"
                           z3="6.17157"
                           zFract="0.24947774"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.67027"
                           xFract="0.81444077"
                           y3="7.3891"
                           yFract="0.82373493"
                           z3="6.32782"
                           zFract="0.24945329"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.99045"
                           xFract="0.63836571"
                           y3="5.89501"
                           yFract="0.65717417"
                           z3="8.20541"
                           zFract="0.34820884"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="12.54453"
                           xFract="0.88537683"
                           y3="5.89281"
                           yFract="0.65692891"
                           z3="8.34708"
                           zFract="0.34752237"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="11.25772"
                           xFract="0.6352766"
                           y3="8.15661"
                           yFract="0.90929674"
                           z3="8.47364"
                           zFract="0.35342193"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.85731"
                           xFract="0.88841727"
                           y3="8.12325"
                           yFract="0.90557778"
                           z3="8.47756"
                           zFract="0.34616132"/>
                     <atom elementType="Br"
                           id="a65"
                           x3="4.1876"
                           xFract="0.20191447"
                           y3="3.65341"
                           yFract="0.40728119"
                           z3="9.91532"
                           zFract="0.44931831"/>
                     <atom elementType="Br"
                           id="a66"
                           x3="5.9764"
                           xFract="0.19635543"
                           y3="6.86733"
                           yFract="0.76556815"
                           z3="10.2020"
                           zFract="0.45230595"/>
                     <atom elementType="Br"
                           id="a67"
                           x3="7.70225"
                           xFract="0.55751449"
                           y3="3.36784"
                           yFract="0.37544592"
                           z3="10.11734"
                           zFract="0.44917884"/>
                     <atom elementType="Br"
                           id="a68"
                           x3="11.17155"
                           xFract="0.95499263"
                           y3="2.24919"
                           yFract="0.25073911"
                           z3="10.08958"
                           zFract="0.43972753"/>
                     <atom elementType="Br"
                           id="a69"
                           x3="11.05574"
                           xFract="0.67763951"
                           y3="7.04215"
                           yFract="0.78505703"
                           z3="10.6173"
                           zFract="0.45693871"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a33" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a4 a33" order="S"/>
                     <bond atomRefs2="a4 a19" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a17" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a34" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a26" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a7 a33" order="S"/>
                     <bond atomRefs2="a7 a41" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a37" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a21" order="S"/>
                     <bond atomRefs2="a8 a26" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a34" order="S"/>
                     <bond atomRefs2="a8 a38" order="S"/>
                     <bond atomRefs2="a8 a37" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a23" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a25" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a26" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a15 a29" order="S"/>
                     <bond atomRefs2="a16 a67" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a30" order="S"/>
                     <bond atomRefs2="a16 a47" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a23" order="S"/>
                     <bond atomRefs2="a19 a34" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a26" order="S"/>
                     <bond atomRefs2="a21 a27" order="S"/>
                     <bond atomRefs2="a21 a23" order="S"/>
                     <bond atomRefs2="a22 a28" order="S"/>
                     <bond atomRefs2="a22 a24" order="S"/>
                     <bond atomRefs2="a22 a23" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a24" order="S"/>
                     <bond atomRefs2="a23 a59" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a57" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a30 a61" order="S"/>
                     <bond atomRefs2="a30 a47" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a66" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a61" order="S"/>
                     <bond atomRefs2="a33 a35" order="S"/>
                     <bond atomRefs2="a33 a34" order="S"/>
                     <bond atomRefs2="a33 a37" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a35" order="S"/>
                     <bond atomRefs2="a34 a38" order="S"/>
                     <bond atomRefs2="a34 a37" order="S"/>
                     <bond atomRefs2="a34 a36" order="S"/>
                     <bond atomRefs2="a35 a36" order="S"/>
                     <bond atomRefs2="a35 a39" order="S"/>
                     <bond atomRefs2="a35 a37" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a40" order="S"/>
                     <bond atomRefs2="a36 a39" order="S"/>
                     <bond atomRefs2="a36 a38" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a44" order="S"/>
                     <bond atomRefs2="a38 a40" order="S"/>
                     <bond atomRefs2="a38 a39" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a57" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a58" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a46 a68" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a57" order="S"/>
                     <bond atomRefs2="a47 a61" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a47 a67" order="S"/>
                     <bond atomRefs2="a48 a68" order="S"/>
                     <bond atomRefs2="a48 a58" order="S"/>
                     <bond atomRefs2="a48 a62" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                     <bond atomRefs2="a63 a69" order="S"/>
                  </bondArray>
                  <formula concise="Br5Cu64">
                     <atomArray count="5 64" elementType="Br Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4466.463999999996</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.42">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">10.364410710831562</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">10.364412581405663</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.16843459"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.16843372"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.4184342"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.4184343"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.24343294"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.24343304"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.49343352"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.49343362"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.05304"
                           xFract="0.06812755"
                           y3="0.60622"
                           yFract="0.06758125"
                           z3="5.40237"
                           zFract="0.25066852"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="3.62197"
                           xFract="0.31344495"
                           y3="0.66037"
                           yFract="0.07361787"
                           z3="5.53265"
                           zFract="0.24930805"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="2.36255"
                           xFract="0.06879225"
                           y3="2.87375"
                           yFract="0.3203649"
                           z3="5.50357"
                           zFract="0.24787443"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.95477"
                           xFract="0.31773204"
                           y3="2.90321"
                           yFract="0.32364909"
                           z3="5.69728"
                           zFract="0.24947869"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.25154"
                           xFract="0.14371605"
                           y3="1.33129"
                           yFract="0.14841186"
                           z3="7.56792"
                           zFract="0.34810408"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="4.78663"
                           xFract="0.38734274"
                           y3="1.35698"
                           yFract="0.15127577"
                           z3="7.6697"
                           zFract="0.34554503"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="3.48266"
                           xFract="0.13678656"
                           y3="3.59912"
                           yFract="0.40122895"
                           z3="7.63633"
                           zFract="0.34398965"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.07914"
                           xFract="0.3913675"
                           y3="3.53441"
                           yFract="0.3940151"
                           z3="8.07308"
                           zFract="0.35719813"/>
                     <atom elementType="Cu"
                           id="a17"
                           x3="5.1870"
                           xFract="0.16843382"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a18"
                           x3="6.47529"
                           xFract="0.16843391"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a19"
                           x3="7.77327"
                           xFract="0.4184344"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a20"
                           x3="9.06156"
                           xFract="0.41843449"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="6.34936"
                           xFract="0.24343314"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="7.63765"
                           xFract="0.24343323"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="8.93563"
                           xFract="0.49343372"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="10.22391"
                           xFract="0.49343285"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="3.62808"
                           xFract="0.06452262"
                           y3="5.15358"
                           yFract="0.57451975"
                           z3="5.69908"
                           zFract="0.24963337"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.21831"
                           xFract="0.31688401"
                           y3="5.11796"
                           yFract="0.57054884"
                           z3="5.90156"
                           zFract="0.25176557"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.92499"
                           xFract="0.06831133"
                           y3="7.34292"
                           yFract="0.81858679"
                           z3="5.87401"
                           zFract="0.25048256"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.5053"
                           xFract="0.31735041"
                           y3="7.34986"
                           yFract="0.81936046"
                           z3="6.02452"
                           zFract="0.25012194"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.7739"
                           xFract="0.13740389"
                           y3="5.8357"
                           yFract="0.6505623"
                           z3="7.95633"
                           zFract="0.35161629"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="7.39666"
                           xFract="0.39019375"
                           y3="5.84899"
                           yFract="0.65204387"
                           z3="8.09565"
                           zFract="0.35059497"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.08015"
                           xFract="0.13977258"
                           y3="8.06687"
                           yFract="0.89929255"
                           z3="8.10027"
                           zFract="0.3509075"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.67063"
                           xFract="0.38813158"
                           y3="8.10376"
                           yFract="0.90340504"
                           z3="8.15719"
                           zFract="0.34605479"/>
                     <atom elementType="Cu"
                           id="a33"
                           x3="7.78295"
                           xFract="0.66843382"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a34"
                           x3="9.07124"
                           xFract="0.66843391"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a35"
                           x3="10.36922"
                           xFract="0.9184344"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a36"
                           x3="11.65751"
                           xFract="0.91843449"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a37"
                           x3="8.94531"
                           xFract="0.74343314"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a38"
                           x3="10.2336"
                           xFract="0.74343323"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a39"
                           x3="11.53158"
                           xFract="0.99343372"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a40"
                           x3="12.81986"
                           xFract="0.99343285"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a41"
                           x3="6.23558"
                           xFract="0.56746329"
                           y3="0.63561"
                           yFract="0.07085764"
                           z3="5.71659"
                           zFract="0.2504805"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="8.83779"
                           xFract="0.81729046"
                           y3="0.66648"
                           yFract="0.07429902"
                           z3="5.85624"
                           zFract="0.24950467"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="7.49889"
                           xFract="0.56358213"
                           y3="2.90458"
                           yFract="0.32380182"
                           z3="5.85569"
                           zFract="0.24960428"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.09293"
                           xFract="0.81593698"
                           y3="2.87571"
                           yFract="0.3205834"
                           z3="5.97748"
                           zFract="0.24790971"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.41995"
                           xFract="0.64130165"
                           y3="1.3676"
                           yFract="0.15245969"
                           z3="7.85789"
                           zFract="0.3468019"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="9.95358"
                           xFract="0.88781588"
                           y3="1.33875"
                           yFract="0.1492435"
                           z3="8.04317"
                           zFract="0.34827514"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="8.71522"
                           xFract="0.64114405"
                           y3="3.62515"
                           yFract="0.40413077"
                           z3="7.96752"
                           zFract="0.34446303"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.27444"
                           xFract="0.88482648"
                           y3="3.69184"
                           yFract="0.41156535"
                           z3="8.06925"
                           zFract="0.34176352"/>
                     <atom elementType="Cu"
                           id="a49"
                           x3="10.35953"
                           xFract="0.66843401"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.90692"
                           zFract="0.05000395"/>
                     <atom elementType="Cu"
                           id="a50"
                           x3="11.64782"
                           xFract="0.66843411"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.0652"
                           zFract="0.05000409"/>
                     <atom elementType="Cu"
                           id="a51"
                           x3="12.9458"
                           xFract="0.91843459"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="2.0652"
                           zFract="0.05000408"/>
                     <atom elementType="Cu"
                           id="a52"
                           x3="14.23408"
                           xFract="0.91843372"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.22348"
                           zFract="0.05000424"/>
                     <atom elementType="Cu"
                           id="a53"
                           x3="11.52189"
                           xFract="0.74343333"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.1228"
                           zFract="0.15000418"/>
                     <atom elementType="Cu"
                           id="a54"
                           x3="12.81018"
                           xFract="0.74343343"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.28107"
                           zFract="0.15000385"/>
                     <atom elementType="Cu"
                           id="a55"
                           x3="14.10815"
                           xFract="0.99343294"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.28107"
                           zFract="0.15000386"/>
                     <atom elementType="Cu"
                           id="a56"
                           x3="15.39644"
                           xFract="0.99343304"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.43935"
                           zFract="0.150004"/>
                     <atom elementType="Cu"
                           id="a57"
                           x3="8.81855"
                           xFract="0.56608039"
                           y3="5.15676"
                           yFract="0.57487425"
                           z3="6.0211"
                           zFract="0.24983401"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="11.39664"
                           xFract="0.81636867"
                           y3="5.13734"
                           yFract="0.57270931"
                           z3="6.15019"
                           zFract="0.24851387"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="10.10679"
                           xFract="0.56672759"
                           y3="7.38758"
                           yFract="0.82356548"
                           z3="6.17178"
                           zFract="0.24949556"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.67307"
                           xFract="0.81482861"
                           y3="7.38699"
                           yFract="0.82349971"
                           z3="6.32781"
                           zFract="0.24944827"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.98595"
                           xFract="0.63759642"
                           y3="5.90103"
                           yFract="0.65784528"
                           z3="8.2099"
                           zFract="0.34842347"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="12.54796"
                           xFract="0.88543128"
                           y3="5.8978"
                           yFract="0.6574852"
                           z3="8.35086"
                           zFract="0.34768236"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="11.25789"
                           xFract="0.63592554"
                           y3="8.14522"
                           yFract="0.90802699"
                           z3="8.47042"
                           zFract="0.35328864"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.85424"
                           xFract="0.88906787"
                           y3="8.10619"
                           yFract="0.90367593"
                           z3="8.47102"
                           zFract="0.34589032"/>
                     <atom elementType="Br"
                           id="a65"
                           x3="4.17747"
                           xFract="0.20087695"
                           y3="3.65446"
                           yFract="0.40739824"
                           z3="9.92593"
                           zFract="0.44984604"/>
                     <atom elementType="Br"
                           id="a66"
                           x3="5.98578"
                           xFract="0.19698005"
                           y3="6.87241"
                           yFract="0.76613446"
                           z3="10.1708"
                           zFract="0.45079933"/>
                     <atom elementType="Br"
                           id="a67"
                           x3="7.70321"
                           xFract="0.55822091"
                           y3="3.35679"
                           yFract="0.37421407"
                           z3="10.12223"
                           zFract="0.44942508"/>
                     <atom elementType="Br"
                           id="a68"
                           x3="11.17186"
                           xFract="0.95712778"
                           y3="2.21128"
                           yFract="0.24651291"
                           z3="10.12149"
                           zFract="0.44129449"/>
                     <atom elementType="Br"
                           id="a69"
                           x3="11.05677"
                           xFract="0.67910125"
                           y3="7.01762"
                           yFract="0.78232244"
                           z3="10.57762"
                           zFract="0.45510581"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a33" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a4 a33" order="S"/>
                     <bond atomRefs2="a4 a19" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a17" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a34" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a26" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a7 a33" order="S"/>
                     <bond atomRefs2="a7 a41" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a37" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a21" order="S"/>
                     <bond atomRefs2="a8 a26" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a34" order="S"/>
                     <bond atomRefs2="a8 a38" order="S"/>
                     <bond atomRefs2="a8 a37" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a23" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a25" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a26" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a15 a29" order="S"/>
                     <bond atomRefs2="a16 a67" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a30" order="S"/>
                     <bond atomRefs2="a16 a47" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a23" order="S"/>
                     <bond atomRefs2="a19 a34" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a26" order="S"/>
                     <bond atomRefs2="a21 a27" order="S"/>
                     <bond atomRefs2="a21 a23" order="S"/>
                     <bond atomRefs2="a22 a28" order="S"/>
                     <bond atomRefs2="a22 a24" order="S"/>
                     <bond atomRefs2="a22 a23" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a24" order="S"/>
                     <bond atomRefs2="a23 a59" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a57" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a30 a61" order="S"/>
                     <bond atomRefs2="a30 a47" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a66" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a61" order="S"/>
                     <bond atomRefs2="a33 a35" order="S"/>
                     <bond atomRefs2="a33 a34" order="S"/>
                     <bond atomRefs2="a33 a37" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a35" order="S"/>
                     <bond atomRefs2="a34 a38" order="S"/>
                     <bond atomRefs2="a34 a37" order="S"/>
                     <bond atomRefs2="a34 a36" order="S"/>
                     <bond atomRefs2="a35 a36" order="S"/>
                     <bond atomRefs2="a35 a39" order="S"/>
                     <bond atomRefs2="a35 a37" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a40" order="S"/>
                     <bond atomRefs2="a36 a39" order="S"/>
                     <bond atomRefs2="a36 a38" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a44" order="S"/>
                     <bond atomRefs2="a38 a40" order="S"/>
                     <bond atomRefs2="a38 a39" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a57" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a58" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a46 a68" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a47 a57" order="S"/>
                     <bond atomRefs2="a47 a61" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a47 a67" order="S"/>
                     <bond atomRefs2="a48 a68" order="S"/>
                     <bond atomRefs2="a48 a58" order="S"/>
                     <bond atomRefs2="a48 a62" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                     <bond atomRefs2="a63 a69" order="S"/>
                  </bondArray>
                  <formula concise="Br5Cu64">
                     <atomArray count="5 64" elementType="Br Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4466.463999999996</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.43">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">10.364410710831562</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">10.364412581405663</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.16843459"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.16843372"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.4184342"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.4184343"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.24343294"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.24343304"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.49343352"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.49343362"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.05364"
                           xFract="0.06793954"
                           y3="0.61065"
                           yFract="0.0680751"
                           z3="5.39399"
                           zFract="0.25026428"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="3.62231"
                           xFract="0.31344117"
                           y3="0.66103"
                           yFract="0.07369145"
                           z3="5.53804"
                           zFract="0.24956011"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="2.36211"
                           xFract="0.0684654"
                           y3="2.87887"
                           yFract="0.32093567"
                           z3="5.5063"
                           zFract="0.24799586"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.95185"
                           xFract="0.31750698"
                           y3="2.90218"
                           yFract="0.32353426"
                           z3="5.69669"
                           zFract="0.24946102"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.25369"
                           xFract="0.14390721"
                           y3="1.33159"
                           yFract="0.1484453"
                           z3="7.56541"
                           zFract="0.34797903"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="4.7939"
                           xFract="0.38809436"
                           y3="1.3561"
                           yFract="0.15117767"
                           z3="7.67733"
                           zFract="0.34588527"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="3.48218"
                           xFract="0.13667019"
                           y3="3.60038"
                           yFract="0.40136942"
                           z3="7.64574"
                           zFract="0.34443261"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.07931"
                           xFract="0.39113127"
                           y3="3.53896"
                           yFract="0.39452233"
                           z3="8.05462"
                           zFract="0.35631966"/>
                     <atom elementType="Cu"
                           id="a17"
                           x3="5.1870"
                           xFract="0.16843382"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a18"
                           x3="6.47529"
                           xFract="0.16843391"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a19"
                           x3="7.77327"
                           xFract="0.4184344"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a20"
                           x3="9.06156"
                           xFract="0.41843449"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="6.34936"
                           xFract="0.24343314"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="7.63765"
                           xFract="0.24343323"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="8.93563"
                           xFract="0.49343372"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="10.22391"
                           xFract="0.49343285"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="3.6291"
                           xFract="0.06433079"
                           y3="5.15881"
                           yFract="0.57510278"
                           z3="5.70022"
                           zFract="0.24967545"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.21816"
                           xFract="0.31703388"
                           y3="5.1150"
                           yFract="0.57021886"
                           z3="5.91156"
                           zFract="0.25224244"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.92753"
                           xFract="0.06842581"
                           y3="7.34528"
                           yFract="0.81884989"
                           z3="5.87095"
                           zFract="0.25032701"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.50369"
                           xFract="0.31706483"
                           y3="7.3522"
                           yFract="0.81962133"
                           z3="6.02125"
                           zFract="0.2499685"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.76808"
                           xFract="0.13657142"
                           y3="5.84056"
                           yFract="0.6511041"
                           z3="7.96366"
                           zFract="0.35197058"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="7.40026"
                           xFract="0.39027075"
                           y3="5.85387"
                           yFract="0.65258789"
                           z3="8.1032"
                           zFract="0.35093241"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.08036"
                           xFract="0.13902433"
                           y3="8.08071"
                           yFract="0.90083543"
                           z3="8.08049"
                           zFract="0.34995117"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.67541"
                           xFract="0.38915783"
                           y3="8.0936"
                           yFract="0.9022724"
                           z3="8.15213"
                           zFract="0.34581939"/>
                     <atom elementType="Cu"
                           id="a33"
                           x3="7.78295"
                           xFract="0.66843382"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a34"
                           x3="9.07124"
                           xFract="0.66843391"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a35"
                           x3="10.36922"
                           xFract="0.9184344"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a36"
                           x3="11.65751"
                           xFract="0.91843449"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a37"
                           x3="8.94531"
                           xFract="0.74343314"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a38"
                           x3="10.2336"
                           xFract="0.74343323"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a39"
                           x3="11.53158"
                           xFract="0.99343372"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a40"
                           x3="12.81986"
                           xFract="0.99343285"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a41"
                           x3="6.23598"
                           xFract="0.56748197"
                           y3="0.63597"
                           yFract="0.07089777"
                           z3="5.71525"
                           zFract="0.25041556"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="8.83663"
                           xFract="0.8171278"
                           y3="0.66739"
                           yFract="0.07440046"
                           z3="5.86281"
                           zFract="0.24981627"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="7.50142"
                           xFract="0.56386223"
                           y3="2.90394"
                           yFract="0.32373047"
                           z3="5.85554"
                           zFract="0.24959098"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.09187"
                           xFract="0.81556408"
                           y3="2.88058"
                           yFract="0.3211263"
                           z3="5.98082"
                           zFract="0.24806212"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.41294"
                           xFract="0.64064069"
                           y3="1.3673"
                           yFract="0.15242625"
                           z3="7.86617"
                           zFract="0.34721302"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="9.95269"
                           xFract="0.88772041"
                           y3="1.33892"
                           yFract="0.14926245"
                           z3="8.04077"
                           zFract="0.34816426"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="8.71703"
                           xFract="0.64126404"
                           y3="3.62614"
                           yFract="0.40424114"
                           z3="7.97454"
                           zFract="0.34478715"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.2731"
                           xFract="0.88532057"
                           y3="3.68061"
                           yFract="0.41031344"
                           z3="8.09528"
                           zFract="0.34301345"/>
                     <atom elementType="Cu"
                           id="a49"
                           x3="10.35953"
                           xFract="0.66843401"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.90692"
                           zFract="0.05000395"/>
                     <atom elementType="Cu"
                           id="a50"
                           x3="11.64782"
                           xFract="0.66843411"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.0652"
                           zFract="0.05000409"/>
                     <atom elementType="Cu"
                           id="a51"
                           x3="12.9458"
                           xFract="0.91843459"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="2.0652"
                           zFract="0.05000408"/>
                     <atom elementType="Cu"
                           id="a52"
                           x3="14.23408"
                           xFract="0.91843372"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.22348"
                           zFract="0.05000424"/>
                     <atom elementType="Cu"
                           id="a53"
                           x3="11.52189"
                           xFract="0.74343333"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.1228"
                           zFract="0.15000418"/>
                     <atom elementType="Cu"
                           id="a54"
                           x3="12.81018"
                           xFract="0.74343343"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.28107"
                           zFract="0.15000385"/>
                     <atom elementType="Cu"
                           id="a55"
                           x3="14.10815"
                           xFract="0.99343294"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.28107"
                           zFract="0.15000386"/>
                     <atom elementType="Cu"
                           id="a56"
                           x3="15.39644"
                           xFract="0.99343304"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.43935"
                           zFract="0.150004"/>
                     <atom elementType="Cu"
                           id="a57"
                           x3="8.8179"
                           xFract="0.56574101"
                           y3="5.16174"
                           yFract="0.57542942"
                           z3="6.02326"
                           zFract="0.24992941"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="11.39565"
                           xFract="0.81592979"
                           y3="5.14352"
                           yFract="0.57339826"
                           z3="6.15897"
                           zFract="0.24892038"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="10.10759"
                           xFract="0.56674605"
                           y3="7.38864"
                           yFract="0.82368365"
                           z3="6.16849"
                           zFract="0.24933636"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.6739"
                           xFract="0.81485553"
                           y3="7.38795"
                           yFract="0.82360673"
                           z3="6.32415"
                           zFract="0.2492717"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.97989"
                           xFract="0.63697398"
                           y3="5.90169"
                           yFract="0.65791885"
                           z3="8.21721"
                           zFract="0.34878452"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="12.55242"
                           xFract="0.88587074"
                           y3="5.89765"
                           yFract="0.65746847"
                           z3="8.3582"
                           zFract="0.34801582"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="11.25922"
                           xFract="0.63579921"
                           y3="8.14981"
                           yFract="0.90853868"
                           z3="8.45163"
                           zFract="0.3523912"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.84928"
                           xFract="0.88917261"
                           y3="8.09567"
                           yFract="0.90250317"
                           z3="8.46601"
                           zFract="0.34568598"/>
                     <atom elementType="Br"
                           id="a65"
                           x3="4.16932"
                           xFract="0.19999085"
                           y3="3.65623"
                           yFract="0.40759556"
                           z3="9.92644"
                           zFract="0.44989065"/>
                     <atom elementType="Br"
                           id="a66"
                           x3="5.99774"
                           xFract="0.19799844"
                           y3="6.87489"
                           yFract="0.76641093"
                           z3="10.15226"
                           zFract="0.44988653"/>
                     <atom elementType="Br"
                           id="a67"
                           x3="7.70266"
                           xFract="0.55891019"
                           y3="3.34342"
                           yFract="0.37272358"
                           z3="10.12057"
                           zFract="0.44937073"/>
                     <atom elementType="Br"
                           id="a68"
                           x3="11.17397"
                           xFract="0.9593503"
                           y3="2.17493"
                           yFract="0.24246063"
                           z3="10.12413"
                           zFract="0.44147359"/>
                     <atom elementType="Br"
                           id="a69"
                           x3="11.05673"
                           xFract="0.68090214"
                           y3="6.98512"
                           yFract="0.77869934"
                           z3="10.54577"
                           zFract="0.45365849"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a33" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a4 a33" order="S"/>
                     <bond atomRefs2="a4 a19" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a17" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a34" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a26" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a7 a33" order="S"/>
                     <bond atomRefs2="a7 a41" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a37" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a21" order="S"/>
                     <bond atomRefs2="a8 a26" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a34" order="S"/>
                     <bond atomRefs2="a8 a38" order="S"/>
                     <bond atomRefs2="a8 a37" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a23" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a25" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a26" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a15 a29" order="S"/>
                     <bond atomRefs2="a16 a67" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a65" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a30" order="S"/>
                     <bond atomRefs2="a16 a26" order="S"/>
                     <bond atomRefs2="a16 a47" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a23" order="S"/>
                     <bond atomRefs2="a19 a34" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a26" order="S"/>
                     <bond atomRefs2="a21 a27" order="S"/>
                     <bond atomRefs2="a21 a23" order="S"/>
                     <bond atomRefs2="a22 a28" order="S"/>
                     <bond atomRefs2="a22 a24" order="S"/>
                     <bond atomRefs2="a22 a23" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a24" order="S"/>
                     <bond atomRefs2="a23 a59" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a57" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a30 a61" order="S"/>
                     <bond atomRefs2="a30 a47" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a66" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a61" order="S"/>
                     <bond atomRefs2="a33 a35" order="S"/>
                     <bond atomRefs2="a33 a34" order="S"/>
                     <bond atomRefs2="a33 a37" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a35" order="S"/>
                     <bond atomRefs2="a34 a38" order="S"/>
                     <bond atomRefs2="a34 a37" order="S"/>
                     <bond atomRefs2="a34 a36" order="S"/>
                     <bond atomRefs2="a35 a36" order="S"/>
                     <bond atomRefs2="a35 a39" order="S"/>
                     <bond atomRefs2="a35 a37" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a40" order="S"/>
                     <bond atomRefs2="a36 a39" order="S"/>
                     <bond atomRefs2="a36 a38" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a44" order="S"/>
                     <bond atomRefs2="a38 a40" order="S"/>
                     <bond atomRefs2="a38 a39" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a57" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a58" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a46 a68" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a57" order="S"/>
                     <bond atomRefs2="a47 a61" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a47 a67" order="S"/>
                     <bond atomRefs2="a48 a68" order="S"/>
                     <bond atomRefs2="a48 a58" order="S"/>
                     <bond atomRefs2="a48 a62" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                     <bond atomRefs2="a63 a69" order="S"/>
                  </bondArray>
                  <formula concise="Br5Cu64">
                     <atomArray count="5 64" elementType="Br Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4466.463999999996</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.44">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">10.364410710831562</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">10.364412581405663</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.16843459"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.16843372"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.4184342"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.4184343"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.24343294"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.24343304"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.49343352"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.49343362"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.05544"
                           xFract="0.06737553"
                           y3="0.62394"
                           yFract="0.06955667"
                           z3="5.36885"
                           zFract="0.24905154"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="3.62335"
                           xFract="0.3134323"
                           y3="0.6630"
                           yFract="0.07391107"
                           z3="5.5542"
                           zFract="0.25031575"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="2.36079"
                           xFract="0.06748485"
                           y3="2.89423"
                           yFract="0.322648"
                           z3="5.51449"
                           zFract="0.24836017"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.94308"
                           xFract="0.31682971"
                           y3="2.89911"
                           yFract="0.32319202"
                           z3="5.69494"
                           zFract="0.24940894"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.26015"
                           xFract="0.14448169"
                           y3="1.33249"
                           yFract="0.14854564"
                           z3="7.55788"
                           zFract="0.34760385"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="4.81573"
                           xFract="0.39035226"
                           y3="1.35344"
                           yFract="0.15088114"
                           z3="7.70023"
                           zFract="0.34690645"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="3.48074"
                           xFract="0.13632164"
                           y3="3.60415"
                           yFract="0.4017897"
                           z3="7.67397"
                           zFract="0.3457615"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.0798"
                           xFract="0.39041952"
                           y3="3.55263"
                           yFract="0.39604626"
                           z3="7.99925"
                           zFract="0.35368474"/>
                     <atom elementType="Cu"
                           id="a17"
                           x3="5.1870"
                           xFract="0.16843382"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a18"
                           x3="6.47529"
                           xFract="0.16843391"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a19"
                           x3="7.77327"
                           xFract="0.4184344"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a20"
                           x3="9.06156"
                           xFract="0.41843449"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="6.34936"
                           xFract="0.24343314"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="7.63765"
                           xFract="0.24343323"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="8.93563"
                           xFract="0.49343372"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="10.22391"
                           xFract="0.49343285"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="3.63216"
                           xFract="0.06375641"
                           y3="5.17448"
                           yFract="0.57684967"
                           z3="5.70365"
                           zFract="0.24980217"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.21771"
                           xFract="0.31748406"
                           y3="5.10611"
                           yFract="0.5692278"
                           z3="5.94158"
                           zFract="0.25367402"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.93515"
                           xFract="0.06876867"
                           y3="7.35237"
                           yFract="0.81964028"
                           z3="5.86177"
                           zFract="0.24986035"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.49884"
                           xFract="0.31620507"
                           y3="7.35924"
                           yFract="0.82040614"
                           z3="6.01145"
                           zFract="0.24950867"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.75063"
                           xFract="0.13407443"
                           y3="5.85515"
                           yFract="0.65273058"
                           z3="7.98564"
                           zFract="0.35303291"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="7.41106"
                           xFract="0.39050175"
                           y3="5.86851"
                           yFract="0.65421995"
                           z3="8.12587"
                           zFract="0.35194568"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.08096"
                           xFract="0.13677723"
                           y3="8.12222"
                           yFract="0.90546295"
                           z3="8.02112"
                           zFract="0.34708084"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.68978"
                           xFract="0.39223838"
                           y3="8.06314"
                           yFract="0.89887673"
                           z3="8.13694"
                           zFract="0.34511259"/>
                     <atom elementType="Cu"
                           id="a33"
                           x3="7.78295"
                           xFract="0.66843382"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a34"
                           x3="9.07124"
                           xFract="0.66843391"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a35"
                           x3="10.36922"
                           xFract="0.9184344"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a36"
                           x3="11.65751"
                           xFract="0.91843449"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a37"
                           x3="8.94531"
                           xFract="0.74343314"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a38"
                           x3="10.2336"
                           xFract="0.74343323"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a39"
                           x3="11.53158"
                           xFract="0.99343372"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a40"
                           x3="12.81986"
                           xFract="0.99343285"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a41"
                           x3="6.23716"
                           xFract="0.56753772"
                           y3="0.63702"
                           yFract="0.07101482"
                           z3="5.71122"
                           zFract="0.25022039"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="8.83316"
                           xFract="0.8166391"
                           y3="0.67015"
                           yFract="0.07470815"
                           z3="5.88252"
                           zFract="0.250751"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="7.50903"
                           xFract="0.56470558"
                           y3="2.9020"
                           yFract="0.3235142"
                           z3="5.85509"
                           zFract="0.24955104"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.08867"
                           xFract="0.814444"
                           y3="2.89518"
                           yFract="0.32275391"
                           z3="5.99085"
                           zFract="0.24851988"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.3919"
                           xFract="0.63865629"
                           y3="1.36641"
                           yFract="0.15232703"
                           z3="7.89102"
                           zFract="0.34844689"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="9.95003"
                           xFract="0.88743385"
                           y3="1.33945"
                           yFract="0.14932153"
                           z3="8.03357"
                           zFract="0.34783157"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="8.72247"
                           xFract="0.64162552"
                           y3="3.6291"
                           yFract="0.40457112"
                           z3="7.99562"
                           zFract="0.34576042"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.26907"
                           xFract="0.88680074"
                           y3="3.64694"
                           yFract="0.40655991"
                           z3="8.17339"
                           zFract="0.34676416"/>
                     <atom elementType="Cu"
                           id="a49"
                           x3="10.35953"
                           xFract="0.66843401"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.90692"
                           zFract="0.05000395"/>
                     <atom elementType="Cu"
                           id="a50"
                           x3="11.64782"
                           xFract="0.66843411"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.0652"
                           zFract="0.05000409"/>
                     <atom elementType="Cu"
                           id="a51"
                           x3="12.9458"
                           xFract="0.91843459"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="2.0652"
                           zFract="0.05000408"/>
                     <atom elementType="Cu"
                           id="a52"
                           x3="14.23408"
                           xFract="0.91843372"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.22348"
                           zFract="0.05000424"/>
                     <atom elementType="Cu"
                           id="a53"
                           x3="11.52189"
                           xFract="0.74343333"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.1228"
                           zFract="0.15000418"/>
                     <atom elementType="Cu"
                           id="a54"
                           x3="12.81018"
                           xFract="0.74343343"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.28107"
                           zFract="0.15000385"/>
                     <atom elementType="Cu"
                           id="a55"
                           x3="14.10815"
                           xFract="0.99343294"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.28107"
                           zFract="0.15000386"/>
                     <atom elementType="Cu"
                           id="a56"
                           x3="15.39644"
                           xFract="0.99343304"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.43935"
                           zFract="0.150004"/>
                     <atom elementType="Cu"
                           id="a57"
                           x3="8.81595"
                           xFract="0.56472288"
                           y3="5.17668"
                           yFract="0.57709493"
                           z3="6.02975"
                           zFract="0.25021609"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="11.39266"
                           xFract="0.81460955"
                           y3="5.16209"
                           yFract="0.57546844"
                           z3="6.18533"
                           zFract="0.25014086"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="10.10998"
                           xFract="0.56680105"
                           y3="7.39181"
                           yFract="0.82403704"
                           z3="6.15861"
                           zFract="0.24885833"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.67641"
                           xFract="0.81493934"
                           y3="7.39081"
                           yFract="0.82392556"
                           z3="6.31316"
                           zFract="0.24874151"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.96172"
                           xFract="0.63510819"
                           y3="5.90366"
                           yFract="0.65813847"
                           z3="8.23914"
                           zFract="0.34986765"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="12.5658"
                           xFract="0.88718965"
                           y3="5.89719"
                           yFract="0.65741719"
                           z3="8.38025"
                           zFract="0.34901763"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="11.26322"
                           xFract="0.63542065"
                           y3="8.16359"
                           yFract="0.91007487"
                           z3="8.39524"
                           zFract="0.34969788"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.83443"
                           xFract="0.88949025"
                           y3="8.0641"
                           yFract="0.89898375"
                           z3="8.45099"
                           zFract="0.34507337"/>
                     <atom elementType="Br"
                           id="a65"
                           x3="4.14485"
                           xFract="0.19733115"
                           y3="3.66153"
                           yFract="0.4081864"
                           z3="9.92797"
                           zFract="0.45002455"/>
                     <atom elementType="Br"
                           id="a66"
                           x3="6.03361"
                           xFract="0.2010532"
                           y3="6.88232"
                           yFract="0.76723923"
                           z3="10.09667"
                           zFract="0.44714957"/>
                     <atom elementType="Br"
                           id="a67"
                           x3="7.70104"
                           xFract="0.56098039"
                           y3="3.30332"
                           yFract="0.36825325"
                           z3="10.1156"
                           zFract="0.44920804"/>
                     <atom elementType="Br"
                           id="a68"
                           x3="11.18032"
                           xFract="0.96601868"
                           y3="2.0659"
                           yFract="0.23030599"
                           z3="10.13207"
                           zFract="0.44201172"/>
                     <atom elementType="Br"
                           id="a69"
                           x3="11.05663"
                           xFract="0.68630565"
                           y3="6.88764"
                           yFract="0.7678323"
                           z3="10.45022"
                           zFract="0.44931644"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a33" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a4 a33" order="S"/>
                     <bond atomRefs2="a4 a19" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a17" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a34" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a26" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a7 a33" order="S"/>
                     <bond atomRefs2="a7 a41" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a37" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a21" order="S"/>
                     <bond atomRefs2="a8 a26" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a34" order="S"/>
                     <bond atomRefs2="a8 a38" order="S"/>
                     <bond atomRefs2="a8 a37" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a23" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a25" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a26" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a15 a29" order="S"/>
                     <bond atomRefs2="a16 a43" order="S"/>
                     <bond atomRefs2="a16 a67" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a30" order="S"/>
                     <bond atomRefs2="a16 a26" order="S"/>
                     <bond atomRefs2="a16 a47" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a23" order="S"/>
                     <bond atomRefs2="a19 a34" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a26" order="S"/>
                     <bond atomRefs2="a21 a27" order="S"/>
                     <bond atomRefs2="a21 a23" order="S"/>
                     <bond atomRefs2="a22 a28" order="S"/>
                     <bond atomRefs2="a22 a24" order="S"/>
                     <bond atomRefs2="a22 a23" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a24" order="S"/>
                     <bond atomRefs2="a23 a59" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a57" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a29 a66" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a30 a61" order="S"/>
                     <bond atomRefs2="a30 a47" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a66" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a61" order="S"/>
                     <bond atomRefs2="a33 a35" order="S"/>
                     <bond atomRefs2="a33 a34" order="S"/>
                     <bond atomRefs2="a33 a37" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a35" order="S"/>
                     <bond atomRefs2="a34 a38" order="S"/>
                     <bond atomRefs2="a34 a37" order="S"/>
                     <bond atomRefs2="a34 a36" order="S"/>
                     <bond atomRefs2="a35 a36" order="S"/>
                     <bond atomRefs2="a35 a39" order="S"/>
                     <bond atomRefs2="a35 a37" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a40" order="S"/>
                     <bond atomRefs2="a36 a39" order="S"/>
                     <bond atomRefs2="a36 a38" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a44" order="S"/>
                     <bond atomRefs2="a38 a40" order="S"/>
                     <bond atomRefs2="a38 a39" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a57" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a58" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a46 a68" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a57" order="S"/>
                     <bond atomRefs2="a47 a61" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a47 a67" order="S"/>
                     <bond atomRefs2="a48 a68" order="S"/>
                     <bond atomRefs2="a48 a58" order="S"/>
                     <bond atomRefs2="a48 a62" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a61 a69" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                     <bond atomRefs2="a63 a69" order="S"/>
                  </bondArray>
                  <formula concise="Br5Cu64">
                     <atomArray count="5 64" elementType="Br Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4466.463999999996</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.45">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">10.364410710831562</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">10.364412581405663</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.16843459"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.16843372"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.4184342"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.4184343"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.24343294"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.24343304"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.49343352"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.49343362"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.05631"
                           xFract="0.06661722"
                           y3="0.63911"
                           yFract="0.07124781"
                           z3="5.3579"
                           zFract="0.24850741"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="3.62688"
                           xFract="0.3137602"
                           y3="0.66324"
                           yFract="0.07393782"
                           z3="5.54868"
                           zFract="0.2500449"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="2.35186"
                           xFract="0.06581143"
                           y3="2.90882"
                           yFract="0.32427449"
                           z3="5.51991"
                           zFract="0.24861713"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.94486"
                           xFract="0.31673023"
                           y3="2.9040"
                           yFract="0.32373716"
                           z3="5.69436"
                           zFract="0.24936829"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.26258"
                           xFract="0.14485597"
                           y3="1.32998"
                           yFract="0.14826582"
                           z3="7.5590"
                           zFract="0.34765384"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="4.81307"
                           xFract="0.39037667"
                           y3="1.34837"
                           yFract="0.15031593"
                           z3="7.70491"
                           zFract="0.34714325"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="3.48019"
                           xFract="0.1358681"
                           y3="3.61136"
                           yFract="0.40259346"
                           z3="7.66408"
                           zFract="0.34528473"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.08111"
                           xFract="0.38983869"
                           y3="3.56537"
                           yFract="0.39746651"
                           z3="7.9842"
                           zFract="0.35295008"/>
                     <atom elementType="Cu"
                           id="a17"
                           x3="5.1870"
                           xFract="0.16843382"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a18"
                           x3="6.47529"
                           xFract="0.16843391"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a19"
                           x3="7.77327"
                           xFract="0.4184344"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a20"
                           x3="9.06156"
                           xFract="0.41843449"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="6.34936"
                           xFract="0.24343314"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="7.63765"
                           xFract="0.24343323"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="8.93563"
                           xFract="0.49343372"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="10.22391"
                           xFract="0.49343285"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="3.6337"
                           xFract="0.06420625"
                           y3="5.16906"
                           yFract="0.57624545"
                           z3="5.71776"
                           zFract="0.25047206"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.2174"
                           xFract="0.31735136"
                           y3="5.10796"
                           yFract="0.56943404"
                           z3="5.94023"
                           zFract="0.25360817"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.93523"
                           xFract="0.06871532"
                           y3="7.35347"
                           yFract="0.8197629"
                           z3="5.85331"
                           zFract="0.2494594"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.50053"
                           xFract="0.31631124"
                           y3="7.36027"
                           yFract="0.82052097"
                           z3="6.00194"
                           zFract="0.24905368"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.75674"
                           xFract="0.13484164"
                           y3="5.85197"
                           yFract="0.65237608"
                           z3="7.99066"
                           zFract="0.35325728"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="7.40505"
                           xFract="0.39020456"
                           y3="5.8634"
                           yFract="0.65365029"
                           z3="8.1271"
                           zFract="0.35202955"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.08024"
                           xFract="0.1359513"
                           y3="8.13584"
                           yFract="0.90698131"
                           z3="7.99468"
                           zFract="0.34581353"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.69044"
                           xFract="0.3913687"
                           y3="8.07995"
                           yFract="0.9007507"
                           z3="8.13358"
                           zFract="0.34492419"/>
                     <atom elementType="Cu"
                           id="a33"
                           x3="7.78295"
                           xFract="0.66843382"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a34"
                           x3="9.07124"
                           xFract="0.66843391"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a35"
                           x3="10.36922"
                           xFract="0.9184344"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a36"
                           x3="11.65751"
                           xFract="0.91843449"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a37"
                           x3="8.94531"
                           xFract="0.74343314"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a38"
                           x3="10.2336"
                           xFract="0.74343323"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a39"
                           x3="11.53158"
                           xFract="0.99343372"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a40"
                           x3="12.81986"
                           xFract="0.99343285"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a41"
                           x3="6.23879"
                           xFract="0.5671794"
                           y3="0.64631"
                           yFract="0.07205047"
                           z3="5.70801"
                           zFract="0.25004882"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="8.83021"
                           xFract="0.81634673"
                           y3="0.67028"
                           yFract="0.07472264"
                           z3="5.87738"
                           zFract="0.25051694"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="7.50644"
                           xFract="0.56428918"
                           y3="2.90499"
                           yFract="0.32384752"
                           z3="5.85466"
                           zFract="0.24953324"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.09871"
                           xFract="0.81465484"
                           y3="2.90886"
                           yFract="0.32427895"
                           z3="5.99531"
                           zFract="0.24867835"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.39463"
                           xFract="0.63906956"
                           y3="1.36372"
                           yFract="0.15202715"
                           z3="7.90271"
                           zFract="0.34899468"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="9.94917"
                           xFract="0.88751398"
                           y3="1.33651"
                           yFract="0.14899378"
                           z3="8.03646"
                           zFract="0.34797523"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="8.72226"
                           xFract="0.64099216"
                           y3="3.64014"
                           yFract="0.40580185"
                           z3="7.99302"
                           zFract="0.34562"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.2684"
                           xFract="0.88733627"
                           y3="3.63613"
                           yFract="0.40535482"
                           z3="8.19882"
                           zFract="0.34798316"/>
                     <atom elementType="Cu"
                           id="a49"
                           x3="10.35953"
                           xFract="0.66843401"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.90692"
                           zFract="0.05000395"/>
                     <atom elementType="Cu"
                           id="a50"
                           x3="11.64782"
                           xFract="0.66843411"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.0652"
                           zFract="0.05000409"/>
                     <atom elementType="Cu"
                           id="a51"
                           x3="12.9458"
                           xFract="0.91843459"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="2.0652"
                           zFract="0.05000408"/>
                     <atom elementType="Cu"
                           id="a52"
                           x3="14.23408"
                           xFract="0.91843372"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.22348"
                           zFract="0.05000424"/>
                     <atom elementType="Cu"
                           id="a53"
                           x3="11.52189"
                           xFract="0.74343333"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.1228"
                           zFract="0.15000418"/>
                     <atom elementType="Cu"
                           id="a54"
                           x3="12.81018"
                           xFract="0.74343343"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.28107"
                           zFract="0.15000385"/>
                     <atom elementType="Cu"
                           id="a55"
                           x3="14.10815"
                           xFract="0.99343294"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.28107"
                           zFract="0.15000386"/>
                     <atom elementType="Cu"
                           id="a56"
                           x3="15.39644"
                           xFract="0.99343304"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.43935"
                           zFract="0.150004"/>
                     <atom elementType="Cu"
                           id="a57"
                           x3="8.81222"
                           xFract="0.56452836"
                           y3="5.17369"
                           yFract="0.5767616"
                           z3="6.04354"
                           zFract="0.25088204"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="11.3924"
                           xFract="0.81526134"
                           y3="5.1499"
                           yFract="0.5741095"
                           z3="6.19787"
                           zFract="0.25075322"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="10.10979"
                           xFract="0.56679934"
                           y3="7.39151"
                           yFract="0.82400359"
                           z3="6.14925"
                           zFract="0.24841806"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.67745"
                           xFract="0.81509151"
                           y3="7.38988"
                           yFract="0.82382188"
                           z3="6.30442"
                           zFract="0.24832797"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.96929"
                           xFract="0.63685116"
                           y3="5.88545"
                           yFract="0.65610842"
                           z3="8.24523"
                           zFract="0.35016336"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="12.55547"
                           xFract="0.88709349"
                           y3="5.88094"
                           yFract="0.65560565"
                           z3="8.38699"
                           zFract="0.34939237"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="11.26608"
                           xFract="0.63525342"
                           y3="8.17158"
                           yFract="0.91096559"
                           z3="8.36424"
                           zFract="0.34821464"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.83502"
                           xFract="0.88870377"
                           y3="8.07929"
                           yFract="0.90067713"
                           z3="8.4484"
                           zFract="0.34492418"/>
                     <atom elementType="Br"
                           id="a65"
                           x3="4.1410"
                           xFract="0.19655472"
                           y3="3.66881"
                           yFract="0.40899798"
                           z3="9.94373"
                           zFract="0.45076657"/>
                     <atom elementType="Br"
                           id="a66"
                           x3="6.05289"
                           xFract="0.20306016"
                           y3="6.87974"
                           yFract="0.76695161"
                           z3="10.08303"
                           zFract="0.44645512"/>
                     <atom elementType="Br"
                           id="a67"
                           x3="7.68994"
                           xFract="0.56163443"
                           y3="3.27222"
                           yFract="0.36478623"
                           z3="10.11751"
                           zFract="0.44938207"/>
                     <atom elementType="Br"
                           id="a68"
                           x3="11.1820"
                           xFract="0.96938244"
                           y3="2.00825"
                           yFract="0.22387918"
                           z3="10.13208"
                           zFract="0.44210363"/>
                     <atom elementType="Br"
                           id="a69"
                           x3="11.0555"
                           xFract="0.689932"
                           y3="6.82037"
                           yFract="0.76033306"
                           z3="10.41633"
                           zFract="0.44783415"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a33" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a4 a33" order="S"/>
                     <bond atomRefs2="a4 a19" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a17" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a34" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a26" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a7 a33" order="S"/>
                     <bond atomRefs2="a7 a41" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a37" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a21" order="S"/>
                     <bond atomRefs2="a8 a26" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a34" order="S"/>
                     <bond atomRefs2="a8 a38" order="S"/>
                     <bond atomRefs2="a8 a37" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a23" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a25" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a26" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a15 a29" order="S"/>
                     <bond atomRefs2="a16 a43" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a30" order="S"/>
                     <bond atomRefs2="a16 a26" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a47" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a23" order="S"/>
                     <bond atomRefs2="a19 a34" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a26" order="S"/>
                     <bond atomRefs2="a21 a27" order="S"/>
                     <bond atomRefs2="a21 a23" order="S"/>
                     <bond atomRefs2="a22 a28" order="S"/>
                     <bond atomRefs2="a22 a24" order="S"/>
                     <bond atomRefs2="a22 a23" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a24" order="S"/>
                     <bond atomRefs2="a23 a59" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a57" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a29 a66" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a30 a61" order="S"/>
                     <bond atomRefs2="a30 a47" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a66" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a61" order="S"/>
                     <bond atomRefs2="a33 a35" order="S"/>
                     <bond atomRefs2="a33 a34" order="S"/>
                     <bond atomRefs2="a33 a37" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a35" order="S"/>
                     <bond atomRefs2="a34 a38" order="S"/>
                     <bond atomRefs2="a34 a37" order="S"/>
                     <bond atomRefs2="a34 a36" order="S"/>
                     <bond atomRefs2="a35 a36" order="S"/>
                     <bond atomRefs2="a35 a39" order="S"/>
                     <bond atomRefs2="a35 a37" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a40" order="S"/>
                     <bond atomRefs2="a36 a39" order="S"/>
                     <bond atomRefs2="a36 a38" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a44" order="S"/>
                     <bond atomRefs2="a38 a40" order="S"/>
                     <bond atomRefs2="a38 a39" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a57" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a58" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a46 a68" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a57" order="S"/>
                     <bond atomRefs2="a47 a61" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a47 a67" order="S"/>
                     <bond atomRefs2="a48 a68" order="S"/>
                     <bond atomRefs2="a48 a58" order="S"/>
                     <bond atomRefs2="a48 a62" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a61 a69" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                     <bond atomRefs2="a63 a69" order="S"/>
                  </bondArray>
                  <formula concise="Br5Cu64">
                     <atomArray count="5 64" elementType="Br Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4466.463999999996</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.46">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">10.364410710831562</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">10.364412581405663</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.16843459"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.16843372"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.4184342"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.4184343"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.24343294"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.24343304"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.49343352"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.49343362"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.05686"
                           xFract="0.06614118"
                           y3="0.64864"
                           yFract="0.07231022"
                           z3="5.35102"
                           zFract="0.24816552"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="3.62909"
                           xFract="0.3139655"
                           y3="0.66339"
                           yFract="0.07395454"
                           z3="5.54521"
                           zFract="0.24987466"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="2.34625"
                           xFract="0.06475993"
                           y3="2.91799"
                           yFract="0.32529676"
                           z3="5.52331"
                           zFract="0.24877831"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.94597"
                           xFract="0.31666649"
                           y3="2.90708"
                           yFract="0.32408052"
                           z3="5.6940"
                           zFract="0.24934297"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.26411"
                           xFract="0.14509105"
                           y3="1.32841"
                           yFract="0.1480908"
                           z3="7.5597"
                           zFract="0.34768505"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="4.8114"
                           xFract="0.39039183"
                           y3="1.34519"
                           yFract="0.14996143"
                           z3="7.70786"
                           zFract="0.34729247"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="3.47985"
                           xFract="0.13558368"
                           y3="3.61589"
                           yFract="0.40309847"
                           z3="7.65786"
                           zFract="0.34498488"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.08193"
                           xFract="0.38947315"
                           y3="3.57338"
                           yFract="0.39835946"
                           z3="7.97474"
                           zFract="0.3524883"/>
                     <atom elementType="Cu"
                           id="a17"
                           x3="5.1870"
                           xFract="0.16843382"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a18"
                           x3="6.47529"
                           xFract="0.16843391"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a19"
                           x3="7.77327"
                           xFract="0.4184344"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a20"
                           x3="9.06156"
                           xFract="0.41843449"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="6.34936"
                           xFract="0.24343314"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="7.63765"
                           xFract="0.24343323"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="8.93563"
                           xFract="0.49343372"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="10.22391"
                           xFract="0.49343285"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="3.63468"
                           xFract="0.06448979"
                           y3="5.16566"
                           yFract="0.57586642"
                           z3="5.72662"
                           zFract="0.25089265"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.21721"
                           xFract="0.31726802"
                           y3="5.10913"
                           yFract="0.56956447"
                           z3="5.93938"
                           zFract="0.25356669"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.93527"
                           xFract="0.06868087"
                           y3="7.35416"
                           yFract="0.81983983"
                           z3="5.8480"
                           zFract="0.24920777"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.50159"
                           xFract="0.31637761"
                           y3="7.36092"
                           yFract="0.82059343"
                           z3="5.99596"
                           zFract="0.24876758"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.76058"
                           xFract="0.13532389"
                           y3="5.84997"
                           yFract="0.65215312"
                           z3="7.99381"
                           zFract="0.35339806"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="7.40128"
                           xFract="0.39001839"
                           y3="5.86019"
                           yFract="0.65329244"
                           z3="8.12787"
                           zFract="0.3520821"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.07979"
                           xFract="0.13543246"
                           y3="8.1444"
                           yFract="0.90793557"
                           z3="7.97807"
                           zFract="0.34501738"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.69085"
                           xFract="0.39082192"
                           y3="8.09051"
                           yFract="0.90192793"
                           z3="8.13146"
                           zFract="0.34480541"/>
                     <atom elementType="Cu"
                           id="a33"
                           x3="7.78295"
                           xFract="0.66843382"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a34"
                           x3="9.07124"
                           xFract="0.66843391"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a35"
                           x3="10.36922"
                           xFract="0.9184344"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a36"
                           x3="11.65751"
                           xFract="0.91843449"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a37"
                           x3="8.94531"
                           xFract="0.74343314"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a38"
                           x3="10.2336"
                           xFract="0.74343323"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a39"
                           x3="11.53158"
                           xFract="0.99343372"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a40"
                           x3="12.81986"
                           xFract="0.99343285"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a41"
                           x3="6.23981"
                           xFract="0.56695426"
                           y3="0.65214"
                           yFract="0.0727004"
                           z3="5.7060"
                           zFract="0.24994137"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="8.82836"
                           xFract="0.8161629"
                           y3="0.67037"
                           yFract="0.07473267"
                           z3="5.87416"
                           zFract="0.25037031"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="7.50481"
                           xFract="0.56402778"
                           y3="2.90686"
                           yFract="0.32405599"
                           z3="5.85439"
                           zFract="0.24952209"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.10502"
                           xFract="0.81478723"
                           y3="2.91746"
                           yFract="0.32523767"
                           z3="5.99811"
                           zFract="0.24877779"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.39635"
                           xFract="0.63933023"
                           y3="1.36202"
                           yFract="0.15183763"
                           z3="7.91005"
                           zFract="0.34933864"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="9.94862"
                           xFract="0.88756354"
                           y3="1.33466"
                           yFract="0.14878755"
                           z3="8.03827"
                           zFract="0.34806525"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="8.72213"
                           xFract="0.6405942"
                           y3="3.64708"
                           yFract="0.40657552"
                           z3="7.99138"
                           zFract="0.34553146"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.26798"
                           xFract="0.88767273"
                           y3="3.62934"
                           yFract="0.40459787"
                           z3="8.21478"
                           zFract="0.34874822"/>
                     <atom elementType="Cu"
                           id="a49"
                           x3="10.35953"
                           xFract="0.66843401"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.90692"
                           zFract="0.05000395"/>
                     <atom elementType="Cu"
                           id="a50"
                           x3="11.64782"
                           xFract="0.66843411"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.0652"
                           zFract="0.05000409"/>
                     <atom elementType="Cu"
                           id="a51"
                           x3="12.9458"
                           xFract="0.91843459"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="2.0652"
                           zFract="0.05000408"/>
                     <atom elementType="Cu"
                           id="a52"
                           x3="14.23408"
                           xFract="0.91843372"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.22348"
                           zFract="0.05000424"/>
                     <atom elementType="Cu"
                           id="a53"
                           x3="11.52189"
                           xFract="0.74343333"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.1228"
                           zFract="0.15000418"/>
                     <atom elementType="Cu"
                           id="a54"
                           x3="12.81018"
                           xFract="0.74343343"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.28107"
                           zFract="0.15000385"/>
                     <atom elementType="Cu"
                           id="a55"
                           x3="14.10815"
                           xFract="0.99343294"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.28107"
                           zFract="0.15000386"/>
                     <atom elementType="Cu"
                           id="a56"
                           x3="15.39644"
                           xFract="0.99343304"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.43935"
                           zFract="0.150004"/>
                     <atom elementType="Cu"
                           id="a57"
                           x3="8.80988"
                           xFract="0.56440656"
                           y3="5.17181"
                           yFract="0.57655202"
                           z3="6.0522"
                           zFract="0.25130024"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="11.39224"
                           xFract="0.81567124"
                           y3="5.14224"
                           yFract="0.57325557"
                           z3="6.20575"
                           zFract="0.25113802"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="10.10967"
                           xFract="0.56679885"
                           y3="7.39131"
                           yFract="0.8239813"
                           z3="6.14337"
                           zFract="0.2481415"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.6781"
                           xFract="0.81518655"
                           y3="7.3893"
                           yFract="0.82375722"
                           z3="6.29893"
                           zFract="0.24806821"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.97404"
                           xFract="0.6379456"
                           y3="5.87401"
                           yFract="0.65483309"
                           z3="8.24905"
                           zFract="0.35034887"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="12.54898"
                           xFract="0.88703255"
                           y3="5.87074"
                           yFract="0.65446855"
                           z3="8.39122"
                           zFract="0.34962757"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="11.26788"
                           xFract="0.63514865"
                           y3="8.1766"
                           yFract="0.91152522"
                           z3="8.34476"
                           zFract="0.34728259"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.8354"
                           xFract="0.88821018"
                           y3="8.08884"
                           yFract="0.90174176"
                           z3="8.44678"
                           zFract="0.34483075"/>
                     <atom elementType="Br"
                           id="a65"
                           x3="4.13858"
                           xFract="0.19606702"
                           y3="3.67338"
                           yFract="0.40950744"
                           z3="9.95362"
                           zFract="0.45123223"/>
                     <atom elementType="Br"
                           id="a66"
                           x3="6.06501"
                           xFract="0.20432225"
                           y3="6.87811"
                           yFract="0.7667699"
                           z3="10.07447"
                           zFract="0.44601927"/>
                     <atom elementType="Br"
                           id="a67"
                           x3="7.68296"
                           xFract="0.56204424"
                           y3="3.25269"
                           yFract="0.36260903"
                           z3="10.1187"
                           zFract="0.44949094"/>
                     <atom elementType="Br"
                           id="a68"
                           x3="11.18306"
                           xFract="0.97149569"
                           y3="1.97204"
                           yFract="0.2198425"
                           z3="10.13208"
                           zFract="0.44216104"/>
                     <atom elementType="Br"
                           id="a69"
                           x3="11.05478"
                           xFract="0.69220859"
                           y3="6.77812"
                           yFract="0.75562304"
                           z3="10.39505"
                           zFract="0.44690344"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a33" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a4 a33" order="S"/>
                     <bond atomRefs2="a4 a19" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a17" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a34" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a26" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a7 a33" order="S"/>
                     <bond atomRefs2="a7 a41" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a37" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a21" order="S"/>
                     <bond atomRefs2="a8 a26" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a34" order="S"/>
                     <bond atomRefs2="a8 a38" order="S"/>
                     <bond atomRefs2="a8 a37" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a23" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a25" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a26" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a15 a29" order="S"/>
                     <bond atomRefs2="a16 a43" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a30" order="S"/>
                     <bond atomRefs2="a16 a26" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a47" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a23" order="S"/>
                     <bond atomRefs2="a19 a34" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a26" order="S"/>
                     <bond atomRefs2="a21 a27" order="S"/>
                     <bond atomRefs2="a21 a23" order="S"/>
                     <bond atomRefs2="a22 a28" order="S"/>
                     <bond atomRefs2="a22 a24" order="S"/>
                     <bond atomRefs2="a22 a23" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a24" order="S"/>
                     <bond atomRefs2="a23 a59" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a57" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a29 a66" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a30 a61" order="S"/>
                     <bond atomRefs2="a30 a47" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a66" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a61" order="S"/>
                     <bond atomRefs2="a33 a35" order="S"/>
                     <bond atomRefs2="a33 a34" order="S"/>
                     <bond atomRefs2="a33 a37" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a35" order="S"/>
                     <bond atomRefs2="a34 a38" order="S"/>
                     <bond atomRefs2="a34 a37" order="S"/>
                     <bond atomRefs2="a34 a36" order="S"/>
                     <bond atomRefs2="a35 a36" order="S"/>
                     <bond atomRefs2="a35 a39" order="S"/>
                     <bond atomRefs2="a35 a37" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a40" order="S"/>
                     <bond atomRefs2="a36 a39" order="S"/>
                     <bond atomRefs2="a36 a38" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a44" order="S"/>
                     <bond atomRefs2="a38 a40" order="S"/>
                     <bond atomRefs2="a38 a39" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a57" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a58" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a46 a68" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a57" order="S"/>
                     <bond atomRefs2="a47 a61" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a47 a67" order="S"/>
                     <bond atomRefs2="a48 a68" order="S"/>
                     <bond atomRefs2="a48 a58" order="S"/>
                     <bond atomRefs2="a48 a62" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a61 a69" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a62 a69" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                     <bond atomRefs2="a63 a69" order="S"/>
                  </bondArray>
                  <formula concise="Br5Cu64">
                     <atomArray count="5 64" elementType="Br Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4466.463999999996</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.47">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">10.364410710831562</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">10.364412581405663</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.16843459"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.16843372"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.4184342"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.4184343"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.24343294"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.24343304"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.49343352"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.49343362"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.05801"
                           xFract="0.06556153"
                           y3="0.66108"
                           yFract="0.07369702"
                           z3="5.34902"
                           zFract="0.24804712"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="3.62954"
                           xFract="0.3135642"
                           y3="0.6714"
                           yFract="0.0748475"
                           z3="5.53291"
                           zFract="0.24928005"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="2.34469"
                           xFract="0.06475073"
                           y3="2.91544"
                           yFract="0.32501249"
                           z3="5.52457"
                           zFract="0.24884648"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.94713"
                           xFract="0.31673808"
                           y3="2.90781"
                           yFract="0.3241619"
                           z3="5.69283"
                           zFract="0.24928324"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.2701"
                           xFract="0.14550459"
                           y3="1.33139"
                           yFract="0.14842301"
                           z3="7.55665"
                           zFract="0.34751898"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="4.80341"
                           xFract="0.38917968"
                           y3="1.35311"
                           yFract="0.15084435"
                           z3="7.70311"
                           zFract="0.34707834"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="3.4893"
                           xFract="0.13664875"
                           y3="3.61316"
                           yFract="0.40279413"
                           z3="7.66819"
                           zFract="0.34544923"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.08132"
                           xFract="0.38944861"
                           y3="3.57276"
                           yFract="0.39829035"
                           z3="7.98404"
                           zFract="0.35292959"/>
                     <atom elementType="Cu"
                           id="a17"
                           x3="5.1870"
                           xFract="0.16843382"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a18"
                           x3="6.47529"
                           xFract="0.16843391"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a19"
                           x3="7.77327"
                           xFract="0.4184344"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a20"
                           x3="9.06156"
                           xFract="0.41843449"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="6.34936"
                           xFract="0.24343314"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="7.63765"
                           xFract="0.24343323"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="8.93563"
                           xFract="0.49343372"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="10.22391"
                           xFract="0.49343285"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="3.63517"
                           xFract="0.06445719"
                           y3="5.1671"
                           yFract="0.57602695"
                           z3="5.72993"
                           zFract="0.2510449"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.21751"
                           xFract="0.31668284"
                           y3="5.12019"
                           yFract="0.57079744"
                           z3="5.92051"
                           zFract="0.25265764"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.92944"
                           xFract="0.0681934"
                           y3="7.35279"
                           yFract="0.8196871"
                           z3="5.84493"
                           zFract="0.24908213"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.50682"
                           xFract="0.31690593"
                           y3="7.36051"
                           yFract="0.82054772"
                           z3="5.99339"
                           zFract="0.248632"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.76617"
                           xFract="0.13582704"
                           y3="5.85064"
                           yFract="0.65222781"
                           z3="7.99039"
                           zFract="0.35321956"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="7.39713"
                           xFract="0.38952283"
                           y3="5.86189"
                           yFract="0.65348196"
                           z3="8.11795"
                           zFract="0.35162351"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.07956"
                           xFract="0.13622153"
                           y3="8.12979"
                           yFract="0.90630685"
                           z3="7.97721"
                           zFract="0.3450019"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.68857"
                           xFract="0.39008509"
                           y3="8.09981"
                           yFract="0.90296469"
                           z3="8.12864"
                           zFract="0.3446635"/>
                     <atom elementType="Cu"
                           id="a33"
                           x3="7.78295"
                           xFract="0.66843382"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a34"
                           x3="9.07124"
                           xFract="0.66843391"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a35"
                           x3="10.36922"
                           xFract="0.9184344"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a36"
                           x3="11.65751"
                           xFract="0.91843449"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a37"
                           x3="8.94531"
                           xFract="0.74343314"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a38"
                           x3="10.2336"
                           xFract="0.74343323"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a39"
                           x3="11.53158"
                           xFract="0.99343372"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a40"
                           x3="12.81986"
                           xFract="0.99343285"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a41"
                           x3="6.24184"
                           xFract="0.56640248"
                           y3="0.66561"
                           yFract="0.07420203"
                           z3="5.7000"
                           zFract="0.24963012"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="8.83007"
                           xFract="0.81588672"
                           y3="0.67832"
                           yFract="0.07561894"
                           z3="5.86335"
                           zFract="0.24984241"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="7.50538"
                           xFract="0.56402346"
                           y3="2.90793"
                           yFract="0.32417527"
                           z3="5.85525"
                           zFract="0.24955921"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.10723"
                           xFract="0.8150625"
                           y3="2.91635"
                           yFract="0.32511393"
                           z3="6.00113"
                           zFract="0.24891566"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.4045"
                           xFract="0.63963492"
                           y3="1.37072"
                           yFract="0.15280751"
                           z3="7.91516"
                           zFract="0.34954152"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="9.94393"
                           xFract="0.88690639"
                           y3="1.33833"
                           yFract="0.14919668"
                           z3="8.03627"
                           zFract="0.34797835"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="8.7139"
                           xFract="0.63992304"
                           y3="3.64484"
                           yFract="0.40632581"
                           z3="7.99615"
                           zFract="0.34578385"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.26801"
                           xFract="0.88816374"
                           y3="3.62055"
                           yFract="0.40361796"
                           z3="8.2174"
                           zFract="0.34888635"/>
                     <atom elementType="Cu"
                           id="a49"
                           x3="10.35953"
                           xFract="0.66843401"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.90692"
                           zFract="0.05000395"/>
                     <atom elementType="Cu"
                           id="a50"
                           x3="11.64782"
                           xFract="0.66843411"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.0652"
                           zFract="0.05000409"/>
                     <atom elementType="Cu"
                           id="a51"
                           x3="12.9458"
                           xFract="0.91843459"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="2.0652"
                           zFract="0.05000408"/>
                     <atom elementType="Cu"
                           id="a52"
                           x3="14.23408"
                           xFract="0.91843372"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.22348"
                           zFract="0.05000424"/>
                     <atom elementType="Cu"
                           id="a53"
                           x3="11.52189"
                           xFract="0.74343333"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.1228"
                           zFract="0.15000418"/>
                     <atom elementType="Cu"
                           id="a54"
                           x3="12.81018"
                           xFract="0.74343343"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.28107"
                           zFract="0.15000385"/>
                     <atom elementType="Cu"
                           id="a55"
                           x3="14.10815"
                           xFract="0.99343294"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.28107"
                           zFract="0.15000386"/>
                     <atom elementType="Cu"
                           id="a56"
                           x3="15.39644"
                           xFract="0.99343304"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.43935"
                           zFract="0.150004"/>
                     <atom elementType="Cu"
                           id="a57"
                           x3="8.8085"
                           xFract="0.56427539"
                           y3="5.17177"
                           yFract="0.57654756"
                           z3="6.05455"
                           zFract="0.25141509"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="11.39255"
                           xFract="0.81624041"
                           y3="5.13253"
                           yFract="0.5721731"
                           z3="6.20503"
                           zFract="0.25111939"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="10.10754"
                           xFract="0.56706997"
                           y3="7.38272"
                           yFract="0.82302369"
                           z3="6.14332"
                           zFract="0.24815964"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.67907"
                           xFract="0.81582063"
                           y3="7.37957"
                           yFract="0.82267253"
                           z3="6.30051"
                           zFract="0.24815616"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.97495"
                           xFract="0.63842894"
                           y3="5.86689"
                           yFract="0.65403936"
                           z3="8.24171"
                           zFract="0.35001206"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="12.54696"
                           xFract="0.88706164"
                           y3="5.8667"
                           yFract="0.65401818"
                           z3="8.39079"
                           zFract="0.34961987"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="11.26814"
                           xFract="0.63591568"
                           y3="8.16324"
                           yFract="0.91003585"
                           z3="8.3443"
                           zFract="0.34728246"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.8381"
                           xFract="0.88790142"
                           y3="8.0991"
                           yFract="0.90288554"
                           z3="8.44501"
                           zFract="0.34472237"/>
                     <atom elementType="Br"
                           id="a65"
                           x3="4.13307"
                           xFract="0.19511458"
                           y3="3.68094"
                           yFract="0.41035022"
                           z3="9.94928"
                           zFract="0.45103088"/>
                     <atom elementType="Br"
                           id="a66"
                           x3="6.08192"
                           xFract="0.20612344"
                           y3="6.87511"
                           yFract="0.76643546"
                           z3="10.07009"
                           zFract="0.44576897"/>
                     <atom elementType="Br"
                           id="a67"
                           x3="7.67447"
                           xFract="0.5630161"
                           y3="3.22041"
                           yFract="0.35901046"
                           z3="10.10907"
                           zFract="0.44911529"/>
                     <atom elementType="Br"
                           id="a68"
                           x3="11.18193"
                           xFract="0.973184"
                           y3="1.93967"
                           yFract="0.2162339"
                           z3="10.13799"
                           zFract="0.44249702"/>
                     <atom elementType="Br"
                           id="a69"
                           x3="11.05638"
                           xFract="0.69510926"
                           y3="6.72867"
                           yFract="0.75011036"
                           z3="10.38286"
                           zFract="0.44640666"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a33" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a4 a33" order="S"/>
                     <bond atomRefs2="a4 a19" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a17" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a34" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a26" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a7 a33" order="S"/>
                     <bond atomRefs2="a7 a41" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a37" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a21" order="S"/>
                     <bond atomRefs2="a8 a26" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a34" order="S"/>
                     <bond atomRefs2="a8 a38" order="S"/>
                     <bond atomRefs2="a8 a37" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a23" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a25" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a26" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a15 a29" order="S"/>
                     <bond atomRefs2="a16 a43" order="S"/>
                     <bond atomRefs2="a16 a67" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a30" order="S"/>
                     <bond atomRefs2="a16 a26" order="S"/>
                     <bond atomRefs2="a16 a47" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a23" order="S"/>
                     <bond atomRefs2="a19 a34" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a26" order="S"/>
                     <bond atomRefs2="a21 a27" order="S"/>
                     <bond atomRefs2="a21 a23" order="S"/>
                     <bond atomRefs2="a22 a28" order="S"/>
                     <bond atomRefs2="a22 a24" order="S"/>
                     <bond atomRefs2="a22 a23" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a24" order="S"/>
                     <bond atomRefs2="a23 a59" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a57" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a66" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a30 a61" order="S"/>
                     <bond atomRefs2="a30 a47" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a66" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a61" order="S"/>
                     <bond atomRefs2="a33 a35" order="S"/>
                     <bond atomRefs2="a33 a34" order="S"/>
                     <bond atomRefs2="a33 a37" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a35" order="S"/>
                     <bond atomRefs2="a34 a38" order="S"/>
                     <bond atomRefs2="a34 a37" order="S"/>
                     <bond atomRefs2="a34 a36" order="S"/>
                     <bond atomRefs2="a35 a36" order="S"/>
                     <bond atomRefs2="a35 a39" order="S"/>
                     <bond atomRefs2="a35 a37" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a40" order="S"/>
                     <bond atomRefs2="a36 a39" order="S"/>
                     <bond atomRefs2="a36 a38" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a44" order="S"/>
                     <bond atomRefs2="a38 a40" order="S"/>
                     <bond atomRefs2="a38 a39" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a57" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a58" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a46 a68" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a57" order="S"/>
                     <bond atomRefs2="a47 a61" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a47 a67" order="S"/>
                     <bond atomRefs2="a48 a68" order="S"/>
                     <bond atomRefs2="a48 a58" order="S"/>
                     <bond atomRefs2="a48 a62" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a61 a69" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a62 a69" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                     <bond atomRefs2="a63 a69" order="S"/>
                  </bondArray>
                  <formula concise="Br5Cu64">
                     <atomArray count="5 64" elementType="Br Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4466.463999999996</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.48">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">10.364410710831562</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">10.364412581405663</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.16843459"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.16843372"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.4184342"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.4184343"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.24343294"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.24343304"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.49343352"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.49343362"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.05871"
                           xFract="0.06520439"
                           y3="0.66873"
                           yFract="0.07454984"
                           z3="5.34779"
                           zFract="0.24797433"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="3.62982"
                           xFract="0.31331749"
                           y3="0.67633"
                           yFract="0.07539709"
                           z3="5.52534"
                           zFract="0.24891408"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="2.34373"
                           xFract="0.06474456"
                           y3="2.91388"
                           yFract="0.32483858"
                           z3="5.52535"
                           zFract="0.24888863"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.94784"
                           xFract="0.31678172"
                           y3="2.90826"
                           yFract="0.32421206"
                           z3="5.69211"
                           zFract="0.24924649"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.27378"
                           xFract="0.14575869"
                           y3="1.33322"
                           yFract="0.14862702"
                           z3="7.55477"
                           zFract="0.34741667"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="4.79849"
                           xFract="0.38843365"
                           y3="1.35798"
                           yFract="0.15138725"
                           z3="7.70019"
                           zFract="0.34694673"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="3.49511"
                           xFract="0.13730311"
                           y3="3.61149"
                           yFract="0.40260796"
                           z3="7.67455"
                           zFract="0.34573512"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.08095"
                           xFract="0.3894345"
                           y3="3.57237"
                           yFract="0.39824687"
                           z3="7.98977"
                           zFract="0.35320148"/>
                     <atom elementType="Cu"
                           id="a17"
                           x3="5.1870"
                           xFract="0.16843382"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a18"
                           x3="6.47529"
                           xFract="0.16843391"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a19"
                           x3="7.77327"
                           xFract="0.4184344"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a20"
                           x3="9.06156"
                           xFract="0.41843449"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="6.34936"
                           xFract="0.24343314"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="7.63765"
                           xFract="0.24343323"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="8.93563"
                           xFract="0.49343372"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="10.22391"
                           xFract="0.49343285"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="3.63548"
                           xFract="0.06443829"
                           y3="5.16798"
                           yFract="0.57612505"
                           z3="5.73197"
                           zFract="0.25113872"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.21769"
                           xFract="0.31632208"
                           y3="5.1270"
                           yFract="0.57155661"
                           z3="5.90889"
                           zFract="0.25209787"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.92585"
                           xFract="0.06789302"
                           y3="7.35195"
                           yFract="0.81959346"
                           z3="5.84304"
                           zFract="0.24900478"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.51004"
                           xFract="0.31723107"
                           y3="7.36026"
                           yFract="0.82051985"
                           z3="5.99181"
                           zFract="0.24854863"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.76962"
                           xFract="0.13613721"
                           y3="5.85106"
                           yFract="0.65227463"
                           z3="7.98828"
                           zFract="0.35310942"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="7.39457"
                           xFract="0.38921706"
                           y3="5.86294"
                           yFract="0.65359901"
                           z3="8.11185"
                           zFract="0.35134153"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.07942"
                           xFract="0.13670667"
                           y3="8.12081"
                           yFract="0.90530577"
                           z3="7.97667"
                           zFract="0.34499184"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.68716"
                           xFract="0.38963115"
                           y3="8.10553"
                           yFract="0.90360236"
                           z3="8.12691"
                           zFract="0.34457644"/>
                     <atom elementType="Cu"
                           id="a33"
                           x3="7.78295"
                           xFract="0.66843382"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a34"
                           x3="9.07124"
                           xFract="0.66843391"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a35"
                           x3="10.36922"
                           xFract="0.9184344"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a36"
                           x3="11.65751"
                           xFract="0.91843449"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a37"
                           x3="8.94531"
                           xFract="0.74343314"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a38"
                           x3="10.2336"
                           xFract="0.74343323"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a39"
                           x3="11.53158"
                           xFract="0.99343372"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a40"
                           x3="12.81986"
                           xFract="0.99343285"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a41"
                           x3="6.24309"
                           xFract="0.56606296"
                           y3="0.6739"
                           yFract="0.0751262"
                           z3="5.69632"
                           zFract="0.24943916"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="8.83113"
                           xFract="0.81571764"
                           y3="0.68321"
                           yFract="0.07616407"
                           z3="5.85671"
                           zFract="0.24951811"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="7.50573"
                           xFract="0.56402064"
                           y3="2.90859"
                           yFract="0.32424885"
                           z3="5.85578"
                           zFract="0.24958209"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.10859"
                           xFract="0.81523117"
                           y3="2.91568"
                           yFract="0.32503924"
                           z3="6.00299"
                           zFract="0.24900056"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.40951"
                           xFract="0.63982212"
                           y3="1.37607"
                           yFract="0.15340392"
                           z3="7.9183"
                           zFract="0.34966618"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="9.94104"
                           xFract="0.88650153"
                           y3="1.34059"
                           yFract="0.14944862"
                           z3="8.03504"
                           zFract="0.34792492"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="8.70885"
                           xFract="0.63951097"
                           y3="3.64347"
                           yFract="0.40617308"
                           z3="7.99908"
                           zFract="0.34593886"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.26803"
                           xFract="0.8884661"
                           y3="3.61514"
                           yFract="0.40301486"
                           z3="8.21901"
                           zFract="0.34897124"/>
                     <atom elementType="Cu"
                           id="a49"
                           x3="10.35953"
                           xFract="0.66843401"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.90692"
                           zFract="0.05000395"/>
                     <atom elementType="Cu"
                           id="a50"
                           x3="11.64782"
                           xFract="0.66843411"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.0652"
                           zFract="0.05000409"/>
                     <atom elementType="Cu"
                           id="a51"
                           x3="12.9458"
                           xFract="0.91843459"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="2.0652"
                           zFract="0.05000408"/>
                     <atom elementType="Cu"
                           id="a52"
                           x3="14.23408"
                           xFract="0.91843372"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.22348"
                           zFract="0.05000424"/>
                     <atom elementType="Cu"
                           id="a53"
                           x3="11.52189"
                           xFract="0.74343333"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.1228"
                           zFract="0.15000418"/>
                     <atom elementType="Cu"
                           id="a54"
                           x3="12.81018"
                           xFract="0.74343343"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.28107"
                           zFract="0.15000385"/>
                     <atom elementType="Cu"
                           id="a55"
                           x3="14.10815"
                           xFract="0.99343294"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.28107"
                           zFract="0.15000386"/>
                     <atom elementType="Cu"
                           id="a56"
                           x3="15.39644"
                           xFract="0.99343304"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.43935"
                           zFract="0.150004"/>
                     <atom elementType="Cu"
                           id="a57"
                           x3="8.80765"
                           xFract="0.56419433"
                           y3="5.17175"
                           yFract="0.57654533"
                           z3="6.05599"
                           zFract="0.25148548"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="11.39274"
                           xFract="0.81659085"
                           y3="5.12655"
                           yFract="0.57150645"
                           z3="6.20458"
                           zFract="0.25110761"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="10.10623"
                           xFract="0.56723709"
                           y3="7.37743"
                           yFract="0.82243396"
                           z3="6.14329"
                           zFract="0.24817084"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.67967"
                           xFract="0.81621126"
                           y3="7.37358"
                           yFract="0.82200476"
                           z3="6.30148"
                           zFract="0.24821017"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.9755"
                           xFract="0.63872533"
                           y3="5.86251"
                           yFract="0.65355108"
                           z3="8.23719"
                           zFract="0.34980467"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="12.54571"
                           xFract="0.88707908"
                           y3="5.86421"
                           yFract="0.65374059"
                           z3="8.39053"
                           zFract="0.34961538"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="11.2683"
                           xFract="0.63638761"
                           y3="8.15502"
                           yFract="0.90911949"
                           z3="8.34401"
                           zFract="0.34728206"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.83976"
                           xFract="0.88771093"
                           y3="8.10542"
                           yFract="0.90359009"
                           z3="8.44392"
                           zFract="0.34465563"/>
                     <atom elementType="Br"
                           id="a65"
                           x3="4.12968"
                           xFract="0.19452811"
                           y3="3.6856"
                           yFract="0.41086972"
                           z3="9.94661"
                           zFract="0.45090699"/>
                     <atom elementType="Br"
                           id="a66"
                           x3="6.09233"
                           xFract="0.20723245"
                           y3="6.87326"
                           yFract="0.76622922"
                           z3="10.0674"
                           zFract="0.44561519"/>
                     <atom elementType="Br"
                           id="a67"
                           x3="7.66924"
                           xFract="0.56361284"
                           y3="3.20056"
                           yFract="0.35679759"
                           z3="10.10315"
                           zFract="0.44888441"/>
                     <atom elementType="Br"
                           id="a68"
                           x3="11.18123"
                           xFract="0.97422251"
                           y3="1.91975"
                           yFract="0.21401323"
                           z3="10.14163"
                           zFract="0.44270393"/>
                     <atom elementType="Br"
                           id="a69"
                           x3="11.05736"
                           xFract="0.69689381"
                           y3="6.69824"
                           yFract="0.74671804"
                           z3="10.37535"
                           zFract="0.44610056"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a33" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a4 a33" order="S"/>
                     <bond atomRefs2="a4 a19" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a17" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a34" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a26" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a7 a33" order="S"/>
                     <bond atomRefs2="a7 a41" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a37" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a21" order="S"/>
                     <bond atomRefs2="a8 a26" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a34" order="S"/>
                     <bond atomRefs2="a8 a38" order="S"/>
                     <bond atomRefs2="a8 a37" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a23" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a25" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a26" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a15 a29" order="S"/>
                     <bond atomRefs2="a16 a43" order="S"/>
                     <bond atomRefs2="a16 a67" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a30" order="S"/>
                     <bond atomRefs2="a16 a26" order="S"/>
                     <bond atomRefs2="a16 a47" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a23" order="S"/>
                     <bond atomRefs2="a19 a34" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a26" order="S"/>
                     <bond atomRefs2="a21 a27" order="S"/>
                     <bond atomRefs2="a21 a23" order="S"/>
                     <bond atomRefs2="a22 a28" order="S"/>
                     <bond atomRefs2="a22 a24" order="S"/>
                     <bond atomRefs2="a22 a23" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a24" order="S"/>
                     <bond atomRefs2="a23 a59" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a57" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a66" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a30 a61" order="S"/>
                     <bond atomRefs2="a30 a47" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a66" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a61" order="S"/>
                     <bond atomRefs2="a33 a35" order="S"/>
                     <bond atomRefs2="a33 a34" order="S"/>
                     <bond atomRefs2="a33 a37" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a35" order="S"/>
                     <bond atomRefs2="a34 a38" order="S"/>
                     <bond atomRefs2="a34 a37" order="S"/>
                     <bond atomRefs2="a34 a36" order="S"/>
                     <bond atomRefs2="a35 a36" order="S"/>
                     <bond atomRefs2="a35 a39" order="S"/>
                     <bond atomRefs2="a35 a37" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a40" order="S"/>
                     <bond atomRefs2="a36 a39" order="S"/>
                     <bond atomRefs2="a36 a38" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a44" order="S"/>
                     <bond atomRefs2="a38 a40" order="S"/>
                     <bond atomRefs2="a38 a39" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a57" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a58" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a46 a68" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a57" order="S"/>
                     <bond atomRefs2="a47 a61" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a47 a67" order="S"/>
                     <bond atomRefs2="a48 a68" order="S"/>
                     <bond atomRefs2="a48 a58" order="S"/>
                     <bond atomRefs2="a48 a62" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a61 a69" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a62 a69" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                     <bond atomRefs2="a63 a69" order="S"/>
                  </bondArray>
                  <formula concise="Br5Cu64">
                     <atomArray count="5 64" elementType="Br Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4466.463999999996</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.49">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">10.364410710831562</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">10.364412581405663</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.16843459"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.16843372"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.4184342"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.4184343"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.24343294"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.24343304"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.49343352"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.49343362"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.0581"
                           xFract="0.0654886"
                           y3="0.66255"
                           yFract="0.0738609"
                           z3="5.35834"
                           zFract="0.24848384"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="3.63158"
                           xFract="0.31337323"
                           y3="0.67839"
                           yFract="0.07562674"
                           z3="5.51753"
                           zFract="0.24853733"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="2.35282"
                           xFract="0.0657854"
                           y3="2.91096"
                           yFract="0.32451306"
                           z3="5.52812"
                           zFract="0.24899788"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.9485"
                           xFract="0.31637962"
                           y3="2.91665"
                           yFract="0.32514738"
                           z3="5.69251"
                           zFract="0.24924943"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.27096"
                           xFract="0.14543112"
                           y3="1.33421"
                           yFract="0.14873738"
                           z3="7.55054"
                           zFract="0.34722371"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="4.80315"
                           xFract="0.38888466"
                           y3="1.35797"
                           yFract="0.15138614"
                           z3="7.68773"
                           zFract="0.34634581"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="3.49889"
                           xFract="0.1378984"
                           y3="3.60735"
                           yFract="0.40214643"
                           z3="7.6714"
                           zFract="0.34558261"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.07939"
                           xFract="0.38929981"
                           y3="3.57208"
                           yFract="0.39821454"
                           z3="7.99902"
                           zFract="0.3536426"/>
                     <atom elementType="Cu"
                           id="a17"
                           x3="5.1870"
                           xFract="0.16843382"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a18"
                           x3="6.47529"
                           xFract="0.16843391"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a19"
                           x3="7.77327"
                           xFract="0.4184344"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a20"
                           x3="9.06156"
                           xFract="0.41843449"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="6.34936"
                           xFract="0.24343314"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="7.63765"
                           xFract="0.24343323"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="8.93563"
                           xFract="0.49343372"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="10.22391"
                           xFract="0.49343285"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="3.63399"
                           xFract="0.06452083"
                           y3="5.1639"
                           yFract="0.57567022"
                           z3="5.73138"
                           zFract="0.25112202"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.2180"
                           xFract="0.31611382"
                           y3="5.13129"
                           yFract="0.57203486"
                           z3="5.8932"
                           zFract="0.25135003"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.92277"
                           xFract="0.06720713"
                           y3="7.35894"
                           yFract="0.8203727"
                           z3="5.84392"
                           zFract="0.24904348"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.51152"
                           xFract="0.31689823"
                           y3="7.36883"
                           yFract="0.82147523"
                           z3="5.99086"
                           zFract="0.24848526"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.77034"
                           xFract="0.1360441"
                           y3="5.85399"
                           yFract="0.65260127"
                           z3="7.97652"
                           zFract="0.35254797"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="7.39689"
                           xFract="0.38926862"
                           y3="5.86605"
                           yFract="0.65394571"
                           z3="8.09151"
                           zFract="0.35037062"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.07793"
                           xFract="0.13693248"
                           y3="8.11415"
                           yFract="0.90456331"
                           z3="7.97451"
                           zFract="0.34490542"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.68865"
                           xFract="0.38972021"
                           y3="8.10652"
                           yFract="0.90371272"
                           z3="8.11977"
                           zFract="0.34423384"/>
                     <atom elementType="Cu"
                           id="a33"
                           x3="7.78295"
                           xFract="0.66843382"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a34"
                           x3="9.07124"
                           xFract="0.66843391"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a35"
                           x3="10.36922"
                           xFract="0.9184344"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a36"
                           x3="11.65751"
                           xFract="0.91843449"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a37"
                           x3="8.94531"
                           xFract="0.74343314"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a38"
                           x3="10.2336"
                           xFract="0.74343323"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a39"
                           x3="11.53158"
                           xFract="0.99343372"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a40"
                           x3="12.81986"
                           xFract="0.99343285"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a41"
                           x3="6.24485"
                           xFract="0.566438"
                           y3="0.67021"
                           yFract="0.07471483"
                           z3="5.70336"
                           zFract="0.24977217"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="8.83092"
                           xFract="0.81547133"
                           y3="0.68728"
                           yFract="0.07661779"
                           z3="5.85131"
                           zFract="0.24925731"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="7.50596"
                           xFract="0.5636064"
                           y3="2.91645"
                           yFract="0.32512508"
                           z3="5.85769"
                           zFract="0.24965835"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.10172"
                           xFract="0.81472646"
                           y3="2.91281"
                           yFract="0.32471929"
                           z3="6.00496"
                           zFract="0.24911806"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.40537"
                           xFract="0.63939194"
                           y3="1.37661"
                           yFract="0.15346412"
                           z3="7.91656"
                           zFract="0.34959519"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="9.94519"
                           xFract="0.88684271"
                           y3="1.34167"
                           yFract="0.14956902"
                           z3="8.03101"
                           zFract="0.34772113"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="8.70584"
                           xFract="0.63933662"
                           y3="3.64137"
                           yFract="0.40593897"
                           z3="7.99803"
                           zFract="0.34590154"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.26962"
                           xFract="0.88938168"
                           y3="3.60142"
                           yFract="0.40148536"
                           z3="8.21489"
                           zFract="0.34879531"/>
                     <atom elementType="Cu"
                           id="a49"
                           x3="10.35953"
                           xFract="0.66843401"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.90692"
                           zFract="0.05000395"/>
                     <atom elementType="Cu"
                           id="a50"
                           x3="11.64782"
                           xFract="0.66843411"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.0652"
                           zFract="0.05000409"/>
                     <atom elementType="Cu"
                           id="a51"
                           x3="12.9458"
                           xFract="0.91843459"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="2.0652"
                           zFract="0.05000408"/>
                     <atom elementType="Cu"
                           id="a52"
                           x3="14.23408"
                           xFract="0.91843372"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.22348"
                           zFract="0.05000424"/>
                     <atom elementType="Cu"
                           id="a53"
                           x3="11.52189"
                           xFract="0.74343333"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.1228"
                           zFract="0.15000418"/>
                     <atom elementType="Cu"
                           id="a54"
                           x3="12.81018"
                           xFract="0.74343343"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.28107"
                           zFract="0.15000385"/>
                     <atom elementType="Cu"
                           id="a55"
                           x3="14.10815"
                           xFract="0.99343294"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.28107"
                           zFract="0.15000386"/>
                     <atom elementType="Cu"
                           id="a56"
                           x3="15.39644"
                           xFract="0.99343304"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.43935"
                           zFract="0.150004"/>
                     <atom elementType="Cu"
                           id="a57"
                           x3="8.80756"
                           xFract="0.56446995"
                           y3="5.16663"
                           yFract="0.57597456"
                           z3="6.05097"
                           zFract="0.2512576"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="11.39435"
                           xFract="0.81707523"
                           y3="5.12063"
                           yFract="0.57084649"
                           z3="6.19615"
                           zFract="0.25071538"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="10.10865"
                           xFract="0.56755876"
                           y3="7.37585"
                           yFract="0.82225782"
                           z3="6.14761"
                           zFract="0.24837018"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.67532"
                           xFract="0.81597458"
                           y3="7.37027"
                           yFract="0.82163576"
                           z3="6.30701"
                           zFract="0.24848899"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.96512"
                           xFract="0.63794575"
                           y3="5.85848"
                           yFract="0.65310181"
                           z3="8.22084"
                           zFract="0.34907046"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="12.55645"
                           xFract="0.88821333"
                           y3="5.86248"
                           yFract="0.65354773"
                           z3="8.38603"
                           zFract="0.3493751"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="11.2667"
                           xFract="0.63639898"
                           y3="8.15203"
                           yFract="0.90878616"
                           z3="8.35037"
                           zFract="0.34759154"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.8394"
                           xFract="0.88752953"
                           y3="8.10806"
                           yFract="0.9038844"
                           z3="8.43746"
                           zFract="0.34434767"/>
                     <atom elementType="Br"
                           id="a65"
                           x3="4.12608"
                           xFract="0.19341657"
                           y3="3.69935"
                           yFract="0.41240257"
                           z3="9.95267"
                           zFract="0.45118014"/>
                     <atom elementType="Br"
                           id="a66"
                           x3="6.1133"
                           xFract="0.20981037"
                           y3="6.86334"
                           yFract="0.76512334"
                           z3="10.07665"
                           zFract="0.44600739"/>
                     <atom elementType="Br"
                           id="a67"
                           x3="7.65555"
                           xFract="0.56518101"
                           y3="3.14849"
                           yFract="0.35099284"
                           z3="10.09851"
                           zFract="0.4487921"/>
                     <atom elementType="Br"
                           id="a68"
                           x3="11.18073"
                           xFract="0.97560799"
                           y3="1.89393"
                           yFract="0.21113482"
                           z3="10.14609"
                           zFract="0.44295879"/>
                     <atom elementType="Br"
                           id="a69"
                           x3="11.06366"
                           xFract="0.70037708"
                           y3="6.64648"
                           yFract="0.74094785"
                           z3="10.37586"
                           zFract="0.44619287"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a33" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a4 a33" order="S"/>
                     <bond atomRefs2="a4 a19" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a17" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a34" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a26" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a7 a33" order="S"/>
                     <bond atomRefs2="a7 a41" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a37" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a21" order="S"/>
                     <bond atomRefs2="a8 a26" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a34" order="S"/>
                     <bond atomRefs2="a8 a38" order="S"/>
                     <bond atomRefs2="a8 a37" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a23" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a25" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a26" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a15 a29" order="S"/>
                     <bond atomRefs2="a16 a43" order="S"/>
                     <bond atomRefs2="a16 a67" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a30" order="S"/>
                     <bond atomRefs2="a16 a26" order="S"/>
                     <bond atomRefs2="a16 a47" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a23" order="S"/>
                     <bond atomRefs2="a19 a34" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a26" order="S"/>
                     <bond atomRefs2="a21 a27" order="S"/>
                     <bond atomRefs2="a21 a23" order="S"/>
                     <bond atomRefs2="a22 a28" order="S"/>
                     <bond atomRefs2="a22 a24" order="S"/>
                     <bond atomRefs2="a22 a23" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a24" order="S"/>
                     <bond atomRefs2="a23 a59" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a57" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a30 a61" order="S"/>
                     <bond atomRefs2="a30 a47" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a66" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a61" order="S"/>
                     <bond atomRefs2="a33 a35" order="S"/>
                     <bond atomRefs2="a33 a34" order="S"/>
                     <bond atomRefs2="a33 a37" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a35" order="S"/>
                     <bond atomRefs2="a34 a38" order="S"/>
                     <bond atomRefs2="a34 a37" order="S"/>
                     <bond atomRefs2="a34 a36" order="S"/>
                     <bond atomRefs2="a35 a36" order="S"/>
                     <bond atomRefs2="a35 a39" order="S"/>
                     <bond atomRefs2="a35 a37" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a40" order="S"/>
                     <bond atomRefs2="a36 a39" order="S"/>
                     <bond atomRefs2="a36 a38" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a44" order="S"/>
                     <bond atomRefs2="a38 a40" order="S"/>
                     <bond atomRefs2="a38 a39" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a57" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a58" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a46 a68" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a57" order="S"/>
                     <bond atomRefs2="a47 a61" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a47 a67" order="S"/>
                     <bond atomRefs2="a48 a68" order="S"/>
                     <bond atomRefs2="a48 a58" order="S"/>
                     <bond atomRefs2="a48 a62" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a61 a69" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a62 a69" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                     <bond atomRefs2="a63 a69" order="S"/>
                  </bondArray>
                  <formula concise="Br5Cu64">
                     <atomArray count="5 64" elementType="Br Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4466.463999999996</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.50">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">10.364410710831562</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">10.364412581405663</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.16843459"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.16843372"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.4184342"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.4184343"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.24343294"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.24343304"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.49343352"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.49343362"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.0572"
                           xFract="0.06590971"
                           y3="0.6534"
                           yFract="0.07284086"
                           z3="5.37396"
                           zFract="0.2492382"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="3.63418"
                           xFract="0.31345519"
                           y3="0.68144"
                           yFract="0.07596675"
                           z3="5.50596"
                           zFract="0.24797921"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="2.36627"
                           xFract="0.06732598"
                           y3="2.90663"
                           yFract="0.32403035"
                           z3="5.53223"
                           zFract="0.24916009"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.94949"
                           xFract="0.31578562"
                           y3="2.92907"
                           yFract="0.32653195"
                           z3="5.69309"
                           zFract="0.24925318"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.26678"
                           xFract="0.14494488"
                           y3="1.33569"
                           yFract="0.14890237"
                           z3="7.54427"
                           zFract="0.34693767"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="4.81004"
                           xFract="0.38955179"
                           y3="1.35795"
                           yFract="0.15138391"
                           z3="7.66928"
                           zFract="0.34545606"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="3.50448"
                           xFract="0.13877861"
                           y3="3.60123"
                           yFract="0.40146417"
                           z3="7.66673"
                           zFract="0.34535651"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.07708"
                           xFract="0.38909984"
                           y3="3.57166"
                           yFract="0.39816772"
                           z3="8.01272"
                           zFract="0.35429591"/>
                     <atom elementType="Cu"
                           id="a17"
                           x3="5.1870"
                           xFract="0.16843382"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a18"
                           x3="6.47529"
                           xFract="0.16843391"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a19"
                           x3="7.77327"
                           xFract="0.4184344"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a20"
                           x3="9.06156"
                           xFract="0.41843449"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="6.34936"
                           xFract="0.24343314"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="7.63765"
                           xFract="0.24343323"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="8.93563"
                           xFract="0.49343372"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="10.22391"
                           xFract="0.49343285"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="3.63179"
                           xFract="0.06464413"
                           y3="5.15785"
                           yFract="0.57499576"
                           z3="5.73051"
                           zFract="0.25109745"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.21846"
                           xFract="0.31580621"
                           y3="5.13763"
                           yFract="0.57274164"
                           z3="5.86997"
                           zFract="0.25024283"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.91822"
                           xFract="0.06619256"
                           y3="7.36929"
                           yFract="0.82152651"
                           z3="5.84522"
                           zFract="0.24910062"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.51371"
                           xFract="0.31640579"
                           y3="7.38151"
                           yFract="0.8228888"
                           z3="5.98946"
                           zFract="0.24839175"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.77141"
                           xFract="0.13590708"
                           y3="5.85832"
                           yFract="0.65308398"
                           z3="7.9591"
                           zFract="0.3517163"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="7.40031"
                           xFract="0.38934433"
                           y3="5.87064"
                           yFract="0.65445741"
                           z3="8.06139"
                           zFract="0.34893294"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.07572"
                           xFract="0.13726694"
                           y3="8.10428"
                           yFract="0.90346301"
                           z3="7.9713"
                           zFract="0.34477693"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.69085"
                           xFract="0.38985124"
                           y3="8.10799"
                           yFract="0.9038766"
                           z3="8.1092"
                           zFract="0.34372667"/>
                     <atom elementType="Cu"
                           id="a33"
                           x3="7.78295"
                           xFract="0.66843382"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a34"
                           x3="9.07124"
                           xFract="0.66843391"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a35"
                           x3="10.36922"
                           xFract="0.9184344"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a36"
                           x3="11.65751"
                           xFract="0.91843449"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a37"
                           x3="8.94531"
                           xFract="0.74343314"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a38"
                           x3="10.2336"
                           xFract="0.74343323"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a39"
                           x3="11.53158"
                           xFract="0.99343372"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a40"
                           x3="12.81986"
                           xFract="0.99343285"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a41"
                           x3="6.24745"
                           xFract="0.56699308"
                           y3="0.66474"
                           yFract="0.07410504"
                           z3="5.71378"
                           zFract="0.25026511"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="8.83062"
                           xFract="0.81510748"
                           y3="0.69331"
                           yFract="0.07729002"
                           z3="5.84332"
                           zFract="0.24887138"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="7.50629"
                           xFract="0.56299247"
                           y3="2.92808"
                           yFract="0.32642159"
                           z3="5.86053"
                           zFract="0.24977188"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.09154"
                           xFract="0.81397842"
                           y3="2.90856"
                           yFract="0.32424551"
                           z3="6.00787"
                           zFract="0.24929173"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.39924"
                           xFract="0.63875496"
                           y3="1.37741"
                           yFract="0.15355331"
                           z3="7.91399"
                           zFract="0.34949036"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="9.95133"
                           xFract="0.88734794"
                           y3="1.34326"
                           yFract="0.14974627"
                           z3="8.02505"
                           zFract="0.34741975"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="8.70138"
                           xFract="0.63907764"
                           y3="3.63827"
                           yFract="0.40559338"
                           z3="7.99648"
                           zFract="0.34584651"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.27198"
                           xFract="0.89073709"
                           y3="3.58112"
                           yFract="0.39922232"
                           z3="8.20879"
                           zFract="0.34853479"/>
                     <atom elementType="Cu"
                           id="a49"
                           x3="10.35953"
                           xFract="0.66843401"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.90692"
                           zFract="0.05000395"/>
                     <atom elementType="Cu"
                           id="a50"
                           x3="11.64782"
                           xFract="0.66843411"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.0652"
                           zFract="0.05000409"/>
                     <atom elementType="Cu"
                           id="a51"
                           x3="12.9458"
                           xFract="0.91843459"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="2.0652"
                           zFract="0.05000408"/>
                     <atom elementType="Cu"
                           id="a52"
                           x3="14.23408"
                           xFract="0.91843372"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.22348"
                           zFract="0.05000424"/>
                     <atom elementType="Cu"
                           id="a53"
                           x3="11.52189"
                           xFract="0.74343333"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.1228"
                           zFract="0.15000418"/>
                     <atom elementType="Cu"
                           id="a54"
                           x3="12.81018"
                           xFract="0.74343343"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.28107"
                           zFract="0.15000385"/>
                     <atom elementType="Cu"
                           id="a55"
                           x3="14.10815"
                           xFract="0.99343294"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.28107"
                           zFract="0.15000386"/>
                     <atom elementType="Cu"
                           id="a56"
                           x3="15.39644"
                           xFract="0.99343304"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.43935"
                           zFract="0.150004"/>
                     <atom elementType="Cu"
                           id="a57"
                           x3="8.80743"
                           xFract="0.56487887"
                           y3="5.15904"
                           yFract="0.57512842"
                           z3="6.04354"
                           zFract="0.25092033"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="11.39674"
                           xFract="0.81779215"
                           y3="5.11188"
                           yFract="0.56987104"
                           z3="6.18367"
                           zFract="0.25013467"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="10.11223"
                           xFract="0.56803532"
                           y3="7.3735"
                           yFract="0.82199584"
                           z3="6.1540"
                           zFract="0.24866506"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.66886"
                           xFract="0.81562223"
                           y3="7.36537"
                           yFract="0.82108951"
                           z3="6.31518"
                           zFract="0.24890102"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.94976"
                           xFract="0.63679306"
                           y3="5.8525"
                           yFract="0.65243516"
                           z3="8.19664"
                           zFract="0.34798375"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="12.57235"
                           xFract="0.88989245"
                           y3="5.85992"
                           yFract="0.65326234"
                           z3="8.37937"
                           zFract="0.34901948"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="11.26432"
                           xFract="0.63641437"
                           y3="8.14761"
                           yFract="0.90829342"
                           z3="8.35979"
                           zFract="0.34804994"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.83887"
                           xFract="0.88726173"
                           y3="8.11196"
                           yFract="0.90431917"
                           z3="8.42788"
                           zFract="0.343891"/>
                     <atom elementType="Br"
                           id="a65"
                           x3="4.12074"
                           xFract="0.19176921"
                           y3="3.71972"
                           yFract="0.41467341"
                           z3="9.96164"
                           zFract="0.45158446"/>
                     <atom elementType="Br"
                           id="a66"
                           x3="6.14435"
                           xFract="0.21362756"
                           y3="6.84865"
                           yFract="0.7634857"
                           z3="10.09033"
                           zFract="0.44658733"/>
                     <atom elementType="Br"
                           id="a67"
                           x3="7.63528"
                           xFract="0.56750195"
                           y3="3.07141"
                           yFract="0.34239998"
                           z3="10.09165"
                           zFract="0.44865588"/>
                     <atom elementType="Br"
                           id="a68"
                           x3="11.17999"
                           xFract="0.97765886"
                           y3="1.85571"
                           yFract="0.20687406"
                           z3="10.1527"
                           zFract="0.44333641"/>
                     <atom elementType="Br"
                           id="a69"
                           x3="11.07299"
                           xFract="0.70553487"
                           y3="6.56984"
                           yFract="0.73240404"
                           z3="10.37661"
                           zFract="0.44632931"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a33" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a4 a33" order="S"/>
                     <bond atomRefs2="a4 a19" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a17" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a34" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a26" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a7 a33" order="S"/>
                     <bond atomRefs2="a7 a41" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a37" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a21" order="S"/>
                     <bond atomRefs2="a8 a26" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a34" order="S"/>
                     <bond atomRefs2="a8 a38" order="S"/>
                     <bond atomRefs2="a8 a37" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a23" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a25" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a26" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a15 a29" order="S"/>
                     <bond atomRefs2="a16 a43" order="S"/>
                     <bond atomRefs2="a16 a67" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a30" order="S"/>
                     <bond atomRefs2="a16 a26" order="S"/>
                     <bond atomRefs2="a16 a47" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a23" order="S"/>
                     <bond atomRefs2="a19 a34" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a26" order="S"/>
                     <bond atomRefs2="a21 a27" order="S"/>
                     <bond atomRefs2="a21 a23" order="S"/>
                     <bond atomRefs2="a22 a28" order="S"/>
                     <bond atomRefs2="a22 a24" order="S"/>
                     <bond atomRefs2="a22 a23" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a24" order="S"/>
                     <bond atomRefs2="a23 a59" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a57" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a30 a61" order="S"/>
                     <bond atomRefs2="a30 a47" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a66" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a61" order="S"/>
                     <bond atomRefs2="a33 a35" order="S"/>
                     <bond atomRefs2="a33 a34" order="S"/>
                     <bond atomRefs2="a33 a37" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a35" order="S"/>
                     <bond atomRefs2="a34 a38" order="S"/>
                     <bond atomRefs2="a34 a37" order="S"/>
                     <bond atomRefs2="a34 a36" order="S"/>
                     <bond atomRefs2="a35 a36" order="S"/>
                     <bond atomRefs2="a35 a39" order="S"/>
                     <bond atomRefs2="a35 a37" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a40" order="S"/>
                     <bond atomRefs2="a36 a39" order="S"/>
                     <bond atomRefs2="a36 a38" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a44" order="S"/>
                     <bond atomRefs2="a38 a40" order="S"/>
                     <bond atomRefs2="a38 a39" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a57" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a58" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a46 a68" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a57" order="S"/>
                     <bond atomRefs2="a47 a61" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a47 a67" order="S"/>
                     <bond atomRefs2="a48 a68" order="S"/>
                     <bond atomRefs2="a48 a58" order="S"/>
                     <bond atomRefs2="a48 a62" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a61 a69" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a62 a69" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                     <bond atomRefs2="a63 a69" order="S"/>
                  </bondArray>
                  <formula concise="Br5Cu64">
                     <atomArray count="5 64" elementType="Br Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4466.463999999996</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.51">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">10.364410710831562</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">10.364412581405663</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.16843459"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.16843372"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.4184342"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.4184343"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.24343294"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.24343304"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.49343352"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.49343362"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.05691"
                           xFract="0.06605716"
                           y3="0.65024"
                           yFract="0.07248858"
                           z3="5.37491"
                           zFract="0.24928911"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="3.63669"
                           xFract="0.31376445"
                           y3="0.68024"
                           yFract="0.07583298"
                           z3="5.50472"
                           zFract="0.2479155"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="2.36797"
                           xFract="0.06759082"
                           y3="2.90482"
                           yFract="0.32382857"
                           z3="5.53014"
                           zFract="0.24905966"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.95379"
                           xFract="0.31602635"
                           y3="2.93222"
                           yFract="0.32688312"
                           z3="5.6920"
                           zFract="0.24918412"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.26629"
                           xFract="0.14506632"
                           y3="1.33265"
                           yFract="0.14856347"
                           z3="7.54384"
                           zFract="0.34692389"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="4.81245"
                           xFract="0.38995745"
                           y3="1.35484"
                           yFract="0.15103721"
                           z3="7.66252"
                           zFract="0.34513557"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="3.50614"
                           xFract="0.13911011"
                           y3="3.59815"
                           yFract="0.40112082"
                           z3="7.67027"
                           zFract="0.34552377"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.0749"
                           xFract="0.38870253"
                           y3="3.57502"
                           yFract="0.39854229"
                           z3="8.0165"
                           zFract="0.35447482"/>
                     <atom elementType="Cu"
                           id="a17"
                           x3="5.1870"
                           xFract="0.16843382"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a18"
                           x3="6.47529"
                           xFract="0.16843391"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a19"
                           x3="7.77327"
                           xFract="0.4184344"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a20"
                           x3="9.06156"
                           xFract="0.41843449"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="6.34936"
                           xFract="0.24343314"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="7.63765"
                           xFract="0.24343323"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="8.93563"
                           xFract="0.49343372"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="10.22391"
                           xFract="0.49343285"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="3.63129"
                           xFract="0.06458413"
                           y3="5.15806"
                           yFract="0.57501917"
                           z3="5.7260"
                           zFract="0.25088589"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.21815"
                           xFract="0.31569073"
                           y3="5.13917"
                           yFract="0.57291332"
                           z3="5.86735"
                           zFract="0.25011762"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.91736"
                           xFract="0.06596116"
                           y3="7.37196"
                           yFract="0.82182417"
                           z3="5.84312"
                           zFract="0.24899963"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.51419"
                           xFract="0.31621896"
                           y3="7.38571"
                           yFract="0.82335701"
                           z3="5.98542"
                           zFract="0.24819287"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.77438"
                           xFract="0.1361542"
                           y3="5.85904"
                           yFract="0.65316424"
                           z3="7.95204"
                           zFract="0.35137366"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="7.39867"
                           xFract="0.38910528"
                           y3="5.87209"
                           yFract="0.65461905"
                           z3="8.0500"
                           zFract="0.34839821"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.07475"
                           xFract="0.13739919"
                           y3="8.10021"
                           yFract="0.90300928"
                           z3="7.97942"
                           zFract="0.34516938"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.69242"
                           xFract="0.38998801"
                           y3="8.10826"
                           yFract="0.9039067"
                           z3="8.10649"
                           zFract="0.34359391"/>
                     <atom elementType="Cu"
                           id="a33"
                           x3="7.78295"
                           xFract="0.66843382"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a34"
                           x3="9.07124"
                           xFract="0.66843391"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a35"
                           x3="10.36922"
                           xFract="0.9184344"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a36"
                           x3="11.65751"
                           xFract="0.91843449"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a37"
                           x3="8.94531"
                           xFract="0.74343314"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a38"
                           x3="10.2336"
                           xFract="0.74343323"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a39"
                           x3="11.53158"
                           xFract="0.99343372"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a40"
                           x3="12.81986"
                           xFract="0.99343285"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a41"
                           x3="6.24996"
                           xFract="0.56747727"
                           y3="0.66039"
                           yFract="0.0736201"
                           z3="5.7162"
                           zFract="0.25037923"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="8.8280"
                           xFract="0.81484589"
                           y3="0.69346"
                           yFract="0.07730674"
                           z3="5.84334"
                           zFract="0.24887963"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="7.5024"
                           xFract="0.56251538"
                           y3="2.9299"
                           yFract="0.32662448"
                           z3="5.86085"
                           zFract="0.24979516"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.0912"
                           xFract="0.81403718"
                           y3="2.90691"
                           yFract="0.32406156"
                           z3="6.00563"
                           zFract="0.24918986"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.39605"
                           xFract="0.63860376"
                           y3="1.37458"
                           yFract="0.15323782"
                           z3="7.91395"
                           zFract="0.34950241"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="9.95297"
                           xFract="0.88764863"
                           y3="1.3407"
                           yFract="0.14946088"
                           z3="8.0246"
                           zFract="0.34739807"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="8.69945"
                           xFract="0.63900603"
                           y3="3.6362"
                           yFract="0.40536262"
                           z3="8.00022"
                           zFract="0.34603187"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.27296"
                           xFract="0.89106006"
                           y3="3.57701"
                           yFract="0.39876414"
                           z3="8.20483"
                           zFract="0.34835211"/>
                     <atom elementType="Cu"
                           id="a49"
                           x3="10.35953"
                           xFract="0.66843401"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.90692"
                           zFract="0.05000395"/>
                     <atom elementType="Cu"
                           id="a50"
                           x3="11.64782"
                           xFract="0.66843411"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.0652"
                           zFract="0.05000409"/>
                     <atom elementType="Cu"
                           id="a51"
                           x3="12.9458"
                           xFract="0.91843459"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="2.0652"
                           zFract="0.05000408"/>
                     <atom elementType="Cu"
                           id="a52"
                           x3="14.23408"
                           xFract="0.91843372"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.22348"
                           zFract="0.05000424"/>
                     <atom elementType="Cu"
                           id="a53"
                           x3="11.52189"
                           xFract="0.74343333"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.1228"
                           zFract="0.15000418"/>
                     <atom elementType="Cu"
                           id="a54"
                           x3="12.81018"
                           xFract="0.74343343"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.28107"
                           zFract="0.15000385"/>
                     <atom elementType="Cu"
                           id="a55"
                           x3="14.10815"
                           xFract="0.99343294"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.28107"
                           zFract="0.15000386"/>
                     <atom elementType="Cu"
                           id="a56"
                           x3="15.39644"
                           xFract="0.99343304"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.43935"
                           zFract="0.150004"/>
                     <atom elementType="Cu"
                           id="a57"
                           x3="8.8077"
                           xFract="0.56497549"
                           y3="5.15777"
                           yFract="0.57498685"
                           z3="6.03562"
                           zFract="0.25054824"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="11.39781"
                           xFract="0.81808994"
                           y3="5.10838"
                           yFract="0.56948086"
                           z3="6.18051"
                           zFract="0.24998844"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="10.11428"
                           xFract="0.5681724"
                           y3="7.3746"
                           yFract="0.82211847"
                           z3="6.15281"
                           zFract="0.2486012"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.66625"
                           xFract="0.81536716"
                           y3="7.36542"
                           yFract="0.82109509"
                           z3="6.31534"
                           zFract="0.24891601"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.94945"
                           xFract="0.63690414"
                           y3="5.84996"
                           yFract="0.652152"
                           z3="8.19026"
                           zFract="0.34768807"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="12.5745"
                           xFract="0.89026909"
                           y3="5.85688"
                           yFract="0.65292344"
                           z3="8.37814"
                           zFract="0.34896036"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="11.26228"
                           xFract="0.63647873"
                           y3="8.1429"
                           yFract="0.90776835"
                           z3="8.3707"
                           zFract="0.34857809"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.83706"
                           xFract="0.887044"
                           y3="8.11273"
                           yFract="0.90440501"
                           z3="8.4248"
                           zFract="0.34374971"/>
                     <atom elementType="Br"
                           id="a65"
                           x3="4.11516"
                           xFract="0.1905368"
                           y3="3.7322"
                           yFract="0.41606468"
                           z3="9.96205"
                           zFract="0.45159905"/>
                     <atom elementType="Br"
                           id="a66"
                           x3="6.16345"
                           xFract="0.21591532"
                           y3="6.8407"
                           yFract="0.76259944"
                           z3="10.09021"
                           zFract="0.44653984"/>
                     <atom elementType="Br"
                           id="a67"
                           x3="7.62591"
                           xFract="0.56904346"
                           y3="3.02734"
                           yFract="0.33748707"
                           z3="10.08354"
                           zFract="0.44837413"/>
                     <atom elementType="Br"
                           id="a68"
                           x3="11.17982"
                           xFract="0.97844596"
                           y3="1.84124"
                           yFract="0.20526095"
                           z3="10.1547"
                           zFract="0.44345537"/>
                     <atom elementType="Br"
                           id="a69"
                           x3="11.07873"
                           xFract="0.70800222"
                           y3="6.5354"
                           yFract="0.72856468"
                           z3="10.37123"
                           zFract="0.4461166"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a33" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a4 a33" order="S"/>
                     <bond atomRefs2="a4 a19" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a17" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a34" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a26" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a7 a33" order="S"/>
                     <bond atomRefs2="a7 a41" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a37" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a21" order="S"/>
                     <bond atomRefs2="a8 a26" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a34" order="S"/>
                     <bond atomRefs2="a8 a38" order="S"/>
                     <bond atomRefs2="a8 a37" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a23" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a25" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a26" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a15 a29" order="S"/>
                     <bond atomRefs2="a16 a43" order="S"/>
                     <bond atomRefs2="a16 a67" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a30" order="S"/>
                     <bond atomRefs2="a16 a26" order="S"/>
                     <bond atomRefs2="a16 a47" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a23" order="S"/>
                     <bond atomRefs2="a19 a34" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a26" order="S"/>
                     <bond atomRefs2="a21 a27" order="S"/>
                     <bond atomRefs2="a21 a23" order="S"/>
                     <bond atomRefs2="a22 a28" order="S"/>
                     <bond atomRefs2="a22 a24" order="S"/>
                     <bond atomRefs2="a22 a23" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a24" order="S"/>
                     <bond atomRefs2="a23 a59" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a57" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a30 a61" order="S"/>
                     <bond atomRefs2="a30 a47" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a66" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a61" order="S"/>
                     <bond atomRefs2="a33 a35" order="S"/>
                     <bond atomRefs2="a33 a34" order="S"/>
                     <bond atomRefs2="a33 a37" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a35" order="S"/>
                     <bond atomRefs2="a34 a38" order="S"/>
                     <bond atomRefs2="a34 a37" order="S"/>
                     <bond atomRefs2="a34 a36" order="S"/>
                     <bond atomRefs2="a35 a36" order="S"/>
                     <bond atomRefs2="a35 a39" order="S"/>
                     <bond atomRefs2="a35 a37" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a40" order="S"/>
                     <bond atomRefs2="a36 a39" order="S"/>
                     <bond atomRefs2="a36 a38" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a44" order="S"/>
                     <bond atomRefs2="a38 a40" order="S"/>
                     <bond atomRefs2="a38 a39" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a57" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a58" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a46 a68" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a57" order="S"/>
                     <bond atomRefs2="a47 a61" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a47 a67" order="S"/>
                     <bond atomRefs2="a48 a68" order="S"/>
                     <bond atomRefs2="a48 a58" order="S"/>
                     <bond atomRefs2="a48 a62" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a61 a69" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a62 a69" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                     <bond atomRefs2="a63 a69" order="S"/>
                  </bondArray>
                  <formula concise="Br5Cu64">
                     <atomArray count="5 64" elementType="Br Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4466.463999999996</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.52">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">10.364410710831562</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">10.364412581405663</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.16843459"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.16843372"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.4184342"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.4184343"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.24343294"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.24343304"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.49343352"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.49343362"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.0564"
                           xFract="0.06631717"
                           y3="0.64467"
                           yFract="0.07186764"
                           z3="5.37659"
                           zFract="0.24937909"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="3.64113"
                           xFract="0.31431081"
                           y3="0.67813"
                           yFract="0.07559775"
                           z3="5.50253"
                           zFract="0.24780296"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="2.37097"
                           xFract="0.06805907"
                           y3="2.90161"
                           yFract="0.32347072"
                           z3="5.52645"
                           zFract="0.24888238"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.96139"
                           xFract="0.31645169"
                           y3="2.93779"
                           yFract="0.32750406"
                           z3="5.69009"
                           zFract="0.24906283"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.26544"
                           xFract="0.14528125"
                           y3="1.3273"
                           yFract="0.14796706"
                           z3="7.54307"
                           zFract="0.34689897"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="4.8167"
                           xFract="0.39067259"
                           y3="1.34936"
                           yFract="0.1504263"
                           z3="7.65059"
                           zFract="0.34456996"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="3.50907"
                           xFract="0.13969431"
                           y3="3.59273"
                           yFract="0.4005166"
                           z3="7.67652"
                           zFract="0.34581905"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.07104"
                           xFract="0.38799955"
                           y3="3.58096"
                           yFract="0.39920448"
                           z3="8.02316"
                           zFract="0.35479005"/>
                     <atom elementType="Cu"
                           id="a17"
                           x3="5.1870"
                           xFract="0.16843382"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a18"
                           x3="6.47529"
                           xFract="0.16843391"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a19"
                           x3="7.77327"
                           xFract="0.4184344"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a20"
                           x3="9.06156"
                           xFract="0.41843449"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="6.34936"
                           xFract="0.24343314"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="7.63765"
                           xFract="0.24343323"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="8.93563"
                           xFract="0.49343372"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="10.22391"
                           xFract="0.49343285"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="3.6304"
                           xFract="0.06447756"
                           y3="5.15843"
                           yFract="0.57506042"
                           z3="5.71805"
                           zFract="0.25051301"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.2176"
                           xFract="0.31548763"
                           y3="5.14187"
                           yFract="0.57321432"
                           z3="5.86271"
                           zFract="0.24989593"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.91586"
                           xFract="0.06555516"
                           y3="7.37666"
                           yFract="0.82234812"
                           z3="5.83941"
                           zFract="0.24882118"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.51503"
                           xFract="0.31588756"
                           y3="7.39314"
                           yFract="0.82418531"
                           z3="5.9783"
                           zFract="0.24784233"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.77961"
                           xFract="0.13658978"
                           y3="5.8603"
                           yFract="0.65330471"
                           z3="7.93959"
                           zFract="0.35076945"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="7.39577"
                           xFract="0.38868335"
                           y3="5.87464"
                           yFract="0.65490332"
                           z3="8.02992"
                           zFract="0.34745556"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.07304"
                           xFract="0.13763316"
                           y3="8.09302"
                           yFract="0.90220774"
                           z3="7.99376"
                           zFract="0.34586244"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.69519"
                           xFract="0.39022967"
                           y3="8.10873"
                           yFract="0.90395909"
                           z3="8.10172"
                           zFract="0.34336023"/>
                     <atom elementType="Cu"
                           id="a33"
                           x3="7.78295"
                           xFract="0.66843382"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a34"
                           x3="9.07124"
                           xFract="0.66843391"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a35"
                           x3="10.36922"
                           xFract="0.9184344"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a36"
                           x3="11.65751"
                           xFract="0.91843449"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a37"
                           x3="8.94531"
                           xFract="0.74343314"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a38"
                           x3="10.2336"
                           xFract="0.74343323"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a39"
                           x3="11.53158"
                           xFract="0.99343372"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a40"
                           x3="12.81986"
                           xFract="0.99343285"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a41"
                           x3="6.2544"
                           xFract="0.56833294"
                           y3="0.65271"
                           yFract="0.07276394"
                           z3="5.72046"
                           zFract="0.2505801"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="8.82337"
                           xFract="0.81438389"
                           y3="0.69372"
                           yFract="0.07733572"
                           z3="5.84337"
                           zFract="0.24889397"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="7.49555"
                           xFract="0.56167553"
                           y3="2.9331"
                           yFract="0.32698122"
                           z3="5.86142"
                           zFract="0.24983645"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.0906"
                           xFract="0.81414022"
                           y3="2.90401"
                           yFract="0.32373827"
                           z3="6.00168"
                           zFract="0.24901019"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.39044"
                           xFract="0.63833801"
                           y3="1.3696"
                           yFract="0.15268265"
                           z3="7.91387"
                           zFract="0.34952314"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="9.95586"
                           xFract="0.88817899"
                           y3="1.33618"
                           yFract="0.148957"
                           z3="8.0238"
                           zFract="0.34735956"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="8.69604"
                           xFract="0.6388802"
                           y3="3.63253"
                           yFract="0.40495349"
                           z3="8.00681"
                           zFract="0.34635856"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.2747"
                           xFract="0.89163086"
                           y3="3.56976"
                           yFract="0.39795591"
                           z3="8.19785"
                           zFract="0.3480301"/>
                     <atom elementType="Cu"
                           id="a49"
                           x3="10.35953"
                           xFract="0.66843401"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.90692"
                           zFract="0.05000395"/>
                     <atom elementType="Cu"
                           id="a50"
                           x3="11.64782"
                           xFract="0.66843411"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.0652"
                           zFract="0.05000409"/>
                     <atom elementType="Cu"
                           id="a51"
                           x3="12.9458"
                           xFract="0.91843459"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="2.0652"
                           zFract="0.05000408"/>
                     <atom elementType="Cu"
                           id="a52"
                           x3="14.23408"
                           xFract="0.91843372"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.22348"
                           zFract="0.05000424"/>
                     <atom elementType="Cu"
                           id="a53"
                           x3="11.52189"
                           xFract="0.74343333"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.1228"
                           zFract="0.15000418"/>
                     <atom elementType="Cu"
                           id="a54"
                           x3="12.81018"
                           xFract="0.74343343"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.28107"
                           zFract="0.15000385"/>
                     <atom elementType="Cu"
                           id="a55"
                           x3="14.10815"
                           xFract="0.99343294"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.28107"
                           zFract="0.15000386"/>
                     <atom elementType="Cu"
                           id="a56"
                           x3="15.39644"
                           xFract="0.99343304"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.43935"
                           zFract="0.150004"/>
                     <atom elementType="Cu"
                           id="a57"
                           x3="8.80819"
                           xFract="0.56514725"
                           y3="5.15553"
                           yFract="0.57473713"
                           z3="6.02165"
                           zFract="0.24989189"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="11.39969"
                           xFract="0.81861486"
                           y3="5.1022"
                           yFract="0.56879192"
                           z3="6.17493"
                           zFract="0.24973024"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="10.11789"
                           xFract="0.56841363"
                           y3="7.37654"
                           yFract="0.82233474"
                           z3="6.15071"
                           zFract="0.24848853"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.66163"
                           xFract="0.81491557"
                           y3="7.36551"
                           yFract="0.82110512"
                           z3="6.31561"
                           zFract="0.24894193"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.94891"
                           xFract="0.63710127"
                           y3="5.84547"
                           yFract="0.65165146"
                           z3="8.1790"
                           zFract="0.34716622"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="12.5783"
                           xFract="0.89093351"
                           y3="5.85153"
                           yFract="0.65232703"
                           z3="8.37597"
                           zFract="0.34885602"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="11.25867"
                           xFract="0.63659067"
                           y3="8.1346"
                           yFract="0.90684307"
                           z3="8.38994"
                           zFract="0.34950953"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.83386"
                           xFract="0.8866586"
                           y3="8.1141"
                           yFract="0.90455774"
                           z3="8.41935"
                           zFract="0.34349969"/>
                     <atom elementType="Br"
                           id="a65"
                           x3="4.10532"
                           xFract="0.18836282"
                           y3="3.75422"
                           yFract="0.41851946"
                           z3="9.96277"
                           zFract="0.45162461"/>
                     <atom elementType="Br"
                           id="a66"
                           x3="6.19716"
                           xFract="0.21995243"
                           y3="6.82668"
                           yFract="0.76103649"
                           z3="10.08999"
                           zFract="0.44645561"/>
                     <atom elementType="Br"
                           id="a67"
                           x3="7.60938"
                           xFract="0.57176314"
                           y3="2.94959"
                           yFract="0.32881952"
                           z3="10.06922"
                           zFract="0.4478765"/>
                     <atom elementType="Br"
                           id="a68"
                           x3="11.17951"
                           xFract="0.97983315"
                           y3="1.81572"
                           yFract="0.20241599"
                           z3="10.15822"
                           zFract="0.44366485"/>
                     <atom elementType="Br"
                           id="a69"
                           x3="11.08885"
                           xFract="0.71235398"
                           y3="6.47465"
                           yFract="0.72179228"
                           z3="10.36173"
                           zFract="0.44574094"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a33" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a4 a33" order="S"/>
                     <bond atomRefs2="a4 a19" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a17" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a34" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a26" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a33" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a41" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a37" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a21" order="S"/>
                     <bond atomRefs2="a8 a26" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a34" order="S"/>
                     <bond atomRefs2="a8 a38" order="S"/>
                     <bond atomRefs2="a8 a37" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a23" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a25" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a26" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a29" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a16 a43" order="S"/>
                     <bond atomRefs2="a16 a67" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a30" order="S"/>
                     <bond atomRefs2="a16 a26" order="S"/>
                     <bond atomRefs2="a16 a47" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a23" order="S"/>
                     <bond atomRefs2="a19 a34" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a27" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a26" order="S"/>
                     <bond atomRefs2="a21 a23" order="S"/>
                     <bond atomRefs2="a22 a28" order="S"/>
                     <bond atomRefs2="a22 a24" order="S"/>
                     <bond atomRefs2="a22 a23" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a24" order="S"/>
                     <bond atomRefs2="a23 a59" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a57" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a30 a61" order="S"/>
                     <bond atomRefs2="a30 a47" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a66" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a61" order="S"/>
                     <bond atomRefs2="a33 a35" order="S"/>
                     <bond atomRefs2="a33 a34" order="S"/>
                     <bond atomRefs2="a33 a37" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a35" order="S"/>
                     <bond atomRefs2="a34 a38" order="S"/>
                     <bond atomRefs2="a34 a37" order="S"/>
                     <bond atomRefs2="a34 a36" order="S"/>
                     <bond atomRefs2="a35 a36" order="S"/>
                     <bond atomRefs2="a35 a39" order="S"/>
                     <bond atomRefs2="a35 a37" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a40" order="S"/>
                     <bond atomRefs2="a36 a39" order="S"/>
                     <bond atomRefs2="a36 a38" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a44" order="S"/>
                     <bond atomRefs2="a38 a40" order="S"/>
                     <bond atomRefs2="a38 a39" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a57" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a58" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a45 a67" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a46 a68" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a57" order="S"/>
                     <bond atomRefs2="a47 a61" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a47 a67" order="S"/>
                     <bond atomRefs2="a48 a68" order="S"/>
                     <bond atomRefs2="a48 a58" order="S"/>
                     <bond atomRefs2="a48 a62" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a61 a69" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a62 a69" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                     <bond atomRefs2="a63 a69" order="S"/>
                  </bondArray>
                  <formula concise="Br5Cu64">
                     <atomArray count="5 64" elementType="Br Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4466.463999999996</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.53">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">10.364410710831562</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">10.364412581405663</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.16843459"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.16843372"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.4184342"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.4184343"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.24343294"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.24343304"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.49343352"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.49343362"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.05538"
                           xFract="0.06683774"
                           y3="0.63352"
                           yFract="0.07062464"
                           z3="5.37995"
                           zFract="0.24955908"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="3.6500"
                           xFract="0.31540313"
                           y3="0.6739"
                           yFract="0.0751262"
                           z3="5.49815"
                           zFract="0.24757791"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="2.37698"
                           xFract="0.06899543"
                           y3="2.89521"
                           yFract="0.32275725"
                           z3="5.51907"
                           zFract="0.24852777"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.97657"
                           xFract="0.317301"
                           y3="2.94892"
                           yFract="0.32874483"
                           z3="5.68625"
                           zFract="0.24881938"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.26373"
                           xFract="0.14571069"
                           y3="1.31659"
                           yFract="0.14677311"
                           z3="7.54153"
                           zFract="0.34684918"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="4.8252"
                           xFract="0.39210341"
                           y3="1.33839"
                           yFract="0.14920337"
                           z3="7.62674"
                           zFract="0.34343924"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="3.51492"
                           xFract="0.14086287"
                           y3="3.58187"
                           yFract="0.39930593"
                           z3="7.68902"
                           zFract="0.34640968"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.06332"
                           xFract="0.38659414"
                           y3="3.59283"
                           yFract="0.40052775"
                           z3="8.0365"
                           zFract="0.35542148"/>
                     <atom elementType="Cu"
                           id="a17"
                           x3="5.1870"
                           xFract="0.16843382"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a18"
                           x3="6.47529"
                           xFract="0.16843391"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a19"
                           x3="7.77327"
                           xFract="0.4184344"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a20"
                           x3="9.06156"
                           xFract="0.41843449"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="6.34936"
                           xFract="0.24343314"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="7.63765"
                           xFract="0.24343323"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="8.93563"
                           xFract="0.49343372"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="10.22391"
                           xFract="0.49343285"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="3.62863"
                           xFract="0.06426537"
                           y3="5.15917"
                           yFract="0.57514292"
                           z3="5.70214"
                           zFract="0.24976673"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.2165"
                           xFract="0.31508032"
                           y3="5.14729"
                           yFract="0.57381854"
                           z3="5.85345"
                           zFract="0.24945344"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.91284"
                           xFract="0.06474069"
                           y3="7.38607"
                           yFract="0.82339714"
                           z3="5.8320"
                           zFract="0.2484648"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.51671"
                           xFract="0.31522532"
                           y3="7.40799"
                           yFract="0.82584078"
                           z3="5.96405"
                           zFract="0.2471408"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.79009"
                           xFract="0.13746233"
                           y3="5.86283"
                           yFract="0.65358675"
                           z3="7.91469"
                           zFract="0.34956096"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="7.38997"
                           xFract="0.38783893"
                           y3="5.87975"
                           yFract="0.65547299"
                           z3="7.98974"
                           zFract="0.34556929"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.06961"
                           xFract="0.13810069"
                           y3="8.07863"
                           yFract="0.90060355"
                           z3="8.02242"
                           zFract="0.34724768"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.70073"
                           xFract="0.39071244"
                           y3="8.10968"
                           yFract="0.904065"
                           z3="8.09217"
                           zFract="0.34289238"/>
                     <atom elementType="Cu"
                           id="a33"
                           x3="7.78295"
                           xFract="0.66843382"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a34"
                           x3="9.07124"
                           xFract="0.66843391"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a35"
                           x3="10.36922"
                           xFract="0.9184344"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a36"
                           x3="11.65751"
                           xFract="0.91843449"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a37"
                           x3="8.94531"
                           xFract="0.74343314"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a38"
                           x3="10.2336"
                           xFract="0.74343323"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a39"
                           x3="11.53158"
                           xFract="0.99343372"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a40"
                           x3="12.81986"
                           xFract="0.99343285"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a41"
                           x3="6.26327"
                           xFract="0.57004331"
                           y3="0.63735"
                           yFract="0.07105161"
                           z3="5.72899"
                           zFract="0.25098235"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="8.81412"
                           xFract="0.81346031"
                           y3="0.69425"
                           yFract="0.07739481"
                           z3="5.84343"
                           zFract="0.24892261"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="7.48184"
                           xFract="0.55999486"
                           y3="2.9395"
                           yFract="0.32769469"
                           z3="5.86255"
                           zFract="0.2499186"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.08941"
                           xFract="0.81434783"
                           y3="2.8982"
                           yFract="0.32309058"
                           z3="5.99377"
                           zFract="0.24865037"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.3792"
                           xFract="0.63780515"
                           y3="1.35963"
                           yFract="0.1515712"
                           z3="7.91372"
                           zFract="0.34956515"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="9.96164"
                           xFract="0.88923915"
                           y3="1.32715"
                           yFract="0.14795033"
                           z3="8.02219"
                           zFract="0.34728205"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="8.68923"
                           xFract="0.63862952"
                           y3="3.62519"
                           yFract="0.40413523"
                           z3="8.0200"
                           zFract="0.34701237"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.27816"
                           xFract="0.89276996"
                           y3="3.55527"
                           yFract="0.39634057"
                           z3="8.18389"
                           zFract="0.3473861"/>
                     <atom elementType="Cu"
                           id="a49"
                           x3="10.35953"
                           xFract="0.66843401"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.90692"
                           zFract="0.05000395"/>
                     <atom elementType="Cu"
                           id="a50"
                           x3="11.64782"
                           xFract="0.66843411"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.0652"
                           zFract="0.05000409"/>
                     <atom elementType="Cu"
                           id="a51"
                           x3="12.9458"
                           xFract="0.91843459"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="2.0652"
                           zFract="0.05000408"/>
                     <atom elementType="Cu"
                           id="a52"
                           x3="14.23408"
                           xFract="0.91843372"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.22348"
                           zFract="0.05000424"/>
                     <atom elementType="Cu"
                           id="a53"
                           x3="11.52189"
                           xFract="0.74343333"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.1228"
                           zFract="0.15000418"/>
                     <atom elementType="Cu"
                           id="a54"
                           x3="12.81018"
                           xFract="0.74343343"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.28107"
                           zFract="0.15000385"/>
                     <atom elementType="Cu"
                           id="a55"
                           x3="14.10815"
                           xFract="0.99343294"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.28107"
                           zFract="0.15000386"/>
                     <atom elementType="Cu"
                           id="a56"
                           x3="15.39644"
                           xFract="0.99343304"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.43935"
                           zFract="0.150004"/>
                     <atom elementType="Cu"
                           id="a57"
                           x3="8.80916"
                           xFract="0.56548923"
                           y3="5.15106"
                           yFract="0.57423882"
                           z3="5.9937"
                           zFract="0.24857873"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="11.40346"
                           xFract="0.81966509"
                           y3="5.08985"
                           yFract="0.56741514"
                           z3="6.16379"
                           zFract="0.24921474"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="10.12513"
                           xFract="0.56889857"
                           y3="7.38041"
                           yFract="0.82276617"
                           z3="6.14652"
                           zFract="0.24826362"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.65239"
                           xFract="0.81401295"
                           y3="7.36568"
                           yFract="0.82112407"
                           z3="6.31616"
                           zFract="0.24899424"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.94782"
                           xFract="0.63749458"
                           y3="5.83649"
                           yFract="0.65065037"
                           z3="8.15647"
                           zFract="0.34612208"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="12.58589"
                           xFract="0.89226138"
                           y3="5.84083"
                           yFract="0.65113419"
                           z3="8.37163"
                           zFract="0.34864736"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="11.25146"
                           xFract="0.63681554"
                           y3="8.1180"
                           yFract="0.90499251"
                           z3="8.42841"
                           zFract="0.3513719"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.82746"
                           xFract="0.88588835"
                           y3="8.11683"
                           yFract="0.90486208"
                           z3="8.40845"
                           zFract="0.34299967"/>
                     <atom elementType="Br"
                           id="a65"
                           x3="4.08562"
                           xFract="0.1840135"
                           y3="3.79825"
                           yFract="0.42342791"
                           z3="9.96421"
                           zFract="0.45167582"/>
                     <atom elementType="Br"
                           id="a66"
                           x3="6.26456"
                           xFract="0.22802527"
                           y3="6.79863"
                           yFract="0.75790949"
                           z3="10.08955"
                           zFract="0.44628723"/>
                     <atom elementType="Br"
                           id="a67"
                           x3="7.57633"
                           xFract="0.57720347"
                           y3="2.79409"
                           yFract="0.31148442"
                           z3="10.0406"
                           zFract="0.44688215"/>
                     <atom elementType="Br"
                           id="a68"
                           x3="11.17889"
                           xFract="0.98260808"
                           y3="1.76467"
                           yFract="0.19672495"
                           z3="10.16526"
                           zFract="0.44408383"/>
                     <atom elementType="Br"
                           id="a69"
                           x3="11.1091"
                           xFract="0.72105902"
                           y3="6.35314"
                           yFract="0.70824638"
                           z3="10.34272"
                           zFract="0.44498913"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a33" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a4 a33" order="S"/>
                     <bond atomRefs2="a4 a19" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a17" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a34" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a26" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a33" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a41" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a37" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a21" order="S"/>
                     <bond atomRefs2="a8 a26" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a34" order="S"/>
                     <bond atomRefs2="a8 a38" order="S"/>
                     <bond atomRefs2="a8 a37" order="S"/>
                     <bond atomRefs2="a8 a23" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a25" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a26" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a29" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a16 a67" order="S"/>
                     <bond atomRefs2="a16 a43" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a26" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a30" order="S"/>
                     <bond atomRefs2="a16 a47" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a23" order="S"/>
                     <bond atomRefs2="a19 a34" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a27" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a26" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a23" order="S"/>
                     <bond atomRefs2="a22 a28" order="S"/>
                     <bond atomRefs2="a22 a24" order="S"/>
                     <bond atomRefs2="a22 a23" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a24" order="S"/>
                     <bond atomRefs2="a23 a59" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a57" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a30 a47" order="S"/>
                     <bond atomRefs2="a30 a61" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a66" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a61" order="S"/>
                     <bond atomRefs2="a33 a35" order="S"/>
                     <bond atomRefs2="a33 a34" order="S"/>
                     <bond atomRefs2="a33 a37" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a35" order="S"/>
                     <bond atomRefs2="a34 a38" order="S"/>
                     <bond atomRefs2="a34 a37" order="S"/>
                     <bond atomRefs2="a34 a36" order="S"/>
                     <bond atomRefs2="a35 a36" order="S"/>
                     <bond atomRefs2="a35 a39" order="S"/>
                     <bond atomRefs2="a35 a37" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a40" order="S"/>
                     <bond atomRefs2="a36 a39" order="S"/>
                     <bond atomRefs2="a36 a38" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a40" order="S"/>
                     <bond atomRefs2="a38 a39" order="S"/>
                     <bond atomRefs2="a38 a44" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a43 a57" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a58" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a45 a67" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a46 a68" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a57" order="S"/>
                     <bond atomRefs2="a47 a61" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a47 a67" order="S"/>
                     <bond atomRefs2="a48 a68" order="S"/>
                     <bond atomRefs2="a48 a58" order="S"/>
                     <bond atomRefs2="a48 a62" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a61 a69" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a62 a69" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                     <bond atomRefs2="a63 a69" order="S"/>
                  </bondArray>
                  <formula concise="Br5Cu64">
                     <atomArray count="5 64" elementType="Br Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4466.463999999996</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.54">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">10.364410710831562</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">10.364412581405663</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.16843459"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.16843372"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.4184342"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.4184343"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.24343294"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.24343304"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.49343352"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.49343362"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.05589"
                           xFract="0.06657829"
                           y3="0.63908"
                           yFract="0.07124447"
                           z3="5.37827"
                           zFract="0.24946911"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="3.64558"
                           xFract="0.3148587"
                           y3="0.67601"
                           yFract="0.07536142"
                           z3="5.50034"
                           zFract="0.2476904"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="2.37398"
                           xFract="0.06852829"
                           y3="2.8984"
                           yFract="0.32311287"
                           z3="5.52275"
                           zFract="0.24870461"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.9690"
                           xFract="0.31687745"
                           y3="2.94337"
                           yFract="0.32812611"
                           z3="5.68816"
                           zFract="0.24894055"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.26458"
                           xFract="0.14549632"
                           y3="1.32193"
                           yFract="0.14736841"
                           z3="7.5423"
                           zFract="0.34687411"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="4.82096"
                           xFract="0.3913898"
                           y3="1.34386"
                           yFract="0.14981316"
                           z3="7.63864"
                           zFract="0.34400341"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="3.5120"
                           xFract="0.14027963"
                           y3="3.58729"
                           yFract="0.39991015"
                           z3="7.68278"
                           zFract="0.34611484"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.06717"
                           xFract="0.38729504"
                           y3="3.58691"
                           yFract="0.39986779"
                           z3="8.02984"
                           zFract="0.35510624"/>
                     <atom elementType="Cu"
                           id="a17"
                           x3="5.1870"
                           xFract="0.16843382"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a18"
                           x3="6.47529"
                           xFract="0.16843391"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a19"
                           x3="7.77327"
                           xFract="0.4184344"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a20"
                           x3="9.06156"
                           xFract="0.41843449"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="6.34936"
                           xFract="0.24343314"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="7.63765"
                           xFract="0.24343323"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="8.93563"
                           xFract="0.49343372"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="10.22391"
                           xFract="0.49343285"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="3.62952"
                           xFract="0.06437195"
                           y3="5.1588"
                           yFract="0.57510167"
                           z3="5.71008"
                           zFract="0.25013914"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.21705"
                           xFract="0.31528342"
                           y3="5.14459"
                           yFract="0.57351754"
                           z3="5.85807"
                           zFract="0.2496742"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.91435"
                           xFract="0.06514709"
                           y3="7.38138"
                           yFract="0.8228743"
                           z3="5.8357"
                           zFract="0.24864273"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.51587"
                           xFract="0.31555561"
                           y3="7.40058"
                           yFract="0.82501472"
                           z3="5.97116"
                           zFract="0.24749083"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.78486"
                           xFract="0.13702675"
                           y3="5.86157"
                           yFract="0.65344628"
                           z3="7.92711"
                           zFract="0.35016375"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="7.39286"
                           xFract="0.38825989"
                           y3="5.8772"
                           yFract="0.65518871"
                           z3="8.00979"
                           zFract="0.34651056"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.07132"
                           xFract="0.13786728"
                           y3="8.08581"
                           yFract="0.90140398"
                           z3="8.00812"
                           zFract="0.34655652"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.69797"
                           xFract="0.3904723"
                           y3="8.1092"
                           yFract="0.90401149"
                           z3="8.09693"
                           zFract="0.34312558"/>
                     <atom elementType="Cu"
                           id="a33"
                           x3="7.78295"
                           xFract="0.66843382"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a34"
                           x3="9.07124"
                           xFract="0.66843391"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a35"
                           x3="10.36922"
                           xFract="0.9184344"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a36"
                           x3="11.65751"
                           xFract="0.91843449"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a37"
                           x3="8.94531"
                           xFract="0.74343314"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a38"
                           x3="10.2336"
                           xFract="0.74343323"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a39"
                           x3="11.53158"
                           xFract="0.99343372"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a40"
                           x3="12.81986"
                           xFract="0.99343285"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a41"
                           x3="6.25885"
                           xFract="0.56919068"
                           y3="0.64501"
                           yFract="0.07190555"
                           z3="5.72474"
                           zFract="0.25078192"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="8.81873"
                           xFract="0.81392037"
                           y3="0.69399"
                           yFract="0.07736582"
                           z3="5.8434"
                           zFract="0.24890833"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="7.48868"
                           xFract="0.56083374"
                           y3="2.9363"
                           yFract="0.32733795"
                           z3="5.86199"
                           zFract="0.24987781"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.09001"
                           xFract="0.81424478"
                           y3="2.9011"
                           yFract="0.32341387"
                           z3="5.99771"
                           zFract="0.24882957"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.38481"
                           xFract="0.63807145"
                           y3="1.3646"
                           yFract="0.15212525"
                           z3="7.9138"
                           zFract="0.34954444"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="9.95876"
                           xFract="0.88871032"
                           y3="1.33166"
                           yFract="0.14845311"
                           z3="8.02299"
                           zFract="0.34732055"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="8.69263"
                           xFract="0.63875493"
                           y3="3.62885"
                           yFract="0.40454325"
                           z3="8.01342"
                           zFract="0.3466862"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.27643"
                           xFract="0.89220124"
                           y3="3.5625"
                           yFract="0.39714656"
                           z3="8.19086"
                           zFract="0.34770765"/>
                     <atom elementType="Cu"
                           id="a49"
                           x3="10.35953"
                           xFract="0.66843401"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.90692"
                           zFract="0.05000395"/>
                     <atom elementType="Cu"
                           id="a50"
                           x3="11.64782"
                           xFract="0.66843411"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.0652"
                           zFract="0.05000409"/>
                     <atom elementType="Cu"
                           id="a51"
                           x3="12.9458"
                           xFract="0.91843459"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="2.0652"
                           zFract="0.05000408"/>
                     <atom elementType="Cu"
                           id="a52"
                           x3="14.23408"
                           xFract="0.91843372"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.22348"
                           zFract="0.05000424"/>
                     <atom elementType="Cu"
                           id="a53"
                           x3="11.52189"
                           xFract="0.74343333"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.1228"
                           zFract="0.15000418"/>
                     <atom elementType="Cu"
                           id="a54"
                           x3="12.81018"
                           xFract="0.74343343"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.28107"
                           zFract="0.15000385"/>
                     <atom elementType="Cu"
                           id="a55"
                           x3="14.10815"
                           xFract="0.99343294"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.28107"
                           zFract="0.15000386"/>
                     <atom elementType="Cu"
                           id="a56"
                           x3="15.39644"
                           xFract="0.99343304"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.43935"
                           zFract="0.150004"/>
                     <atom elementType="Cu"
                           id="a57"
                           x3="8.80867"
                           xFract="0.56531803"
                           y3="5.15329"
                           yFract="0.57448742"
                           z3="6.00765"
                           zFract="0.24923415"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="11.40158"
                           xFract="0.81914073"
                           y3="5.09602"
                           yFract="0.56810297"
                           z3="6.16935"
                           zFract="0.24947201"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="10.12152"
                           xFract="0.56865679"
                           y3="7.37848"
                           yFract="0.82255101"
                           z3="6.14861"
                           zFract="0.2483758"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.6570"
                           xFract="0.81446302"
                           y3="7.3656"
                           yFract="0.82111515"
                           z3="6.31589"
                           zFract="0.24896834"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.94836"
                           xFract="0.637298"
                           y3="5.84097"
                           yFract="0.6511498"
                           z3="8.16771"
                           zFract="0.34664301"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="12.5821"
                           xFract="0.89159848"
                           y3="5.84617"
                           yFract="0.6517295"
                           z3="8.37379"
                           zFract="0.34875122"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="11.25506"
                           xFract="0.63670373"
                           y3="8.12628"
                           yFract="0.90591556"
                           z3="8.40922"
                           zFract="0.35044288"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.83065"
                           xFract="0.88627223"
                           y3="8.11547"
                           yFract="0.90471046"
                           z3="8.41388"
                           zFract="0.34324876"/>
                     <atom elementType="Br"
                           id="a65"
                           x3="4.09545"
                           xFract="0.18618373"
                           y3="3.77628"
                           yFract="0.4209787"
                           z3="9.96349"
                           zFract="0.4516502"/>
                     <atom elementType="Br"
                           id="a66"
                           x3="6.23093"
                           xFract="0.22399756"
                           y3="6.81262"
                           yFract="0.75946909"
                           z3="10.08977"
                           zFract="0.44637127"/>
                     <atom elementType="Br"
                           id="a67"
                           x3="7.59282"
                           xFract="0.57448936"
                           y3="2.87167"
                           yFract="0.32013302"
                           z3="10.05488"
                           zFract="0.44737829"/>
                     <atom elementType="Br"
                           id="a68"
                           x3="11.1792"
                           xFract="0.98122367"
                           y3="1.79014"
                           yFract="0.19956434"
                           z3="10.16174"
                           zFract="0.44387443"/>
                     <atom elementType="Br"
                           id="a69"
                           x3="11.0990"
                           xFract="0.71671641"
                           y3="6.41376"
                           yFract="0.71500428"
                           z3="10.3522"
                           zFract="0.44536401"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a33" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a4 a33" order="S"/>
                     <bond atomRefs2="a4 a19" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a17" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a34" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a26" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a33" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a41" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a37" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a21" order="S"/>
                     <bond atomRefs2="a8 a26" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a34" order="S"/>
                     <bond atomRefs2="a8 a38" order="S"/>
                     <bond atomRefs2="a8 a37" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a23" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a25" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a26" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a29" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a16 a67" order="S"/>
                     <bond atomRefs2="a16 a43" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a26" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a30" order="S"/>
                     <bond atomRefs2="a16 a47" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a23" order="S"/>
                     <bond atomRefs2="a19 a34" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a27" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a26" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a23" order="S"/>
                     <bond atomRefs2="a22 a28" order="S"/>
                     <bond atomRefs2="a22 a24" order="S"/>
                     <bond atomRefs2="a22 a23" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a24" order="S"/>
                     <bond atomRefs2="a23 a59" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a57" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a30 a61" order="S"/>
                     <bond atomRefs2="a30 a47" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a66" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a61" order="S"/>
                     <bond atomRefs2="a33 a35" order="S"/>
                     <bond atomRefs2="a33 a34" order="S"/>
                     <bond atomRefs2="a33 a37" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a35" order="S"/>
                     <bond atomRefs2="a34 a38" order="S"/>
                     <bond atomRefs2="a34 a37" order="S"/>
                     <bond atomRefs2="a34 a36" order="S"/>
                     <bond atomRefs2="a35 a36" order="S"/>
                     <bond atomRefs2="a35 a39" order="S"/>
                     <bond atomRefs2="a35 a37" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a40" order="S"/>
                     <bond atomRefs2="a36 a39" order="S"/>
                     <bond atomRefs2="a36 a38" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a44" order="S"/>
                     <bond atomRefs2="a38 a40" order="S"/>
                     <bond atomRefs2="a38 a39" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a57" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a58" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a45 a67" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a46 a68" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a57" order="S"/>
                     <bond atomRefs2="a47 a61" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a47 a67" order="S"/>
                     <bond atomRefs2="a48 a68" order="S"/>
                     <bond atomRefs2="a48 a58" order="S"/>
                     <bond atomRefs2="a48 a62" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a61 a69" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a62 a69" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                     <bond atomRefs2="a63 a69" order="S"/>
                  </bondArray>
                  <formula concise="Br5Cu64">
                     <atomArray count="5 64" elementType="Br Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4466.463999999996</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.55">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">10.364410710831562</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">10.364412581405663</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.16843459"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.16843372"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.4184342"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.4184343"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.24343294"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.24343304"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.49343352"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.49343362"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.05521"
                           xFract="0.06638373"
                           y3="0.6414"
                           yFract="0.0715031"
                           z3="5.37168"
                           zFract="0.24915648"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="3.64624"
                           xFract="0.31487918"
                           y3="0.67679"
                           yFract="0.07544837"
                           z3="5.50376"
                           zFract="0.24784845"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="2.37039"
                           xFract="0.068279"
                           y3="2.89664"
                           yFract="0.32291667"
                           z3="5.52244"
                           zFract="0.24870329"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.96679"
                           xFract="0.31712806"
                           y3="2.93501"
                           yFract="0.32719414"
                           z3="5.68882"
                           zFract="0.24899201"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.27007"
                           xFract="0.146298"
                           y3="1.31705"
                           yFract="0.14682439"
                           z3="7.54463"
                           zFract="0.34697628"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="4.81632"
                           xFract="0.39109843"
                           y3="1.34103"
                           yFract="0.14949767"
                           z3="7.64337"
                           zFract="0.34424455"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="3.50875"
                           xFract="0.14015372"
                           y3="3.5839"
                           yFract="0.39953223"
                           z3="7.67669"
                           zFract="0.34584274"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.06504"
                           xFract="0.38688646"
                           y3="3.59056"
                           yFract="0.40027469"
                           z3="8.02344"
                           zFract="0.35480453"/>
                     <atom elementType="Cu"
                           id="a17"
                           x3="5.1870"
                           xFract="0.16843382"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a18"
                           x3="6.47529"
                           xFract="0.16843391"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a19"
                           x3="7.77327"
                           xFract="0.4184344"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a20"
                           x3="9.06156"
                           xFract="0.41843449"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="6.34936"
                           xFract="0.24343314"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="7.63765"
                           xFract="0.24343323"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="8.93563"
                           xFract="0.49343372"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="10.22391"
                           xFract="0.49343285"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="3.62924"
                           xFract="0.06425603"
                           y3="5.1604"
                           yFract="0.57528004"
                           z3="5.70994"
                           zFract="0.25013068"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.21617"
                           xFract="0.31514505"
                           y3="5.14555"
                           yFract="0.57362456"
                           z3="5.86761"
                           zFract="0.25012494"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.91773"
                           xFract="0.06569539"
                           y3="7.37739"
                           yFract="0.8224295"
                           z3="5.8359"
                           zFract="0.24864907"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.51398"
                           xFract="0.31566945"
                           y3="7.39524"
                           yFract="0.82441941"
                           z3="5.96971"
                           zFract="0.24743684"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.78391"
                           xFract="0.13712761"
                           y3="5.8581"
                           yFract="0.65305945"
                           z3="7.92446"
                           zFract="0.35004734"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="7.39552"
                           xFract="0.38881411"
                           y3="5.87185"
                           yFract="0.6545923"
                           z3="8.00938"
                           zFract="0.34649249"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.07015"
                           xFract="0.13744487"
                           y3="8.09138"
                           yFract="0.90202492"
                           z3="8.01344"
                           zFract="0.34680143"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.69796"
                           xFract="0.39072566"
                           y3="8.10462"
                           yFract="0.90350091"
                           z3="8.10065"
                           zFract="0.34330865"/>
                     <atom elementType="Cu"
                           id="a33"
                           x3="7.78295"
                           xFract="0.66843382"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a34"
                           x3="9.07124"
                           xFract="0.66843391"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a35"
                           x3="10.36922"
                           xFract="0.9184344"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a36"
                           x3="11.65751"
                           xFract="0.91843449"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a37"
                           x3="8.94531"
                           xFract="0.74343314"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a38"
                           x3="10.2336"
                           xFract="0.74343323"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a39"
                           x3="11.53158"
                           xFract="0.99343372"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a40"
                           x3="12.81986"
                           xFract="0.99343285"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a41"
                           x3="6.26093"
                           xFract="0.56948504"
                           y3="0.64333"
                           yFract="0.07171826"
                           z3="5.71891"
                           zFract="0.25050384"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="8.81711"
                           xFract="0.81378266"
                           y3="0.69365"
                           yFract="0.07732792"
                           z3="5.84671"
                           zFract="0.24906963"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="7.48786"
                           xFract="0.56121816"
                           y3="2.92795"
                           yFract="0.3264071"
                           z3="5.86396"
                           zFract="0.249987"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.09361"
                           xFract="0.81468551"
                           y3="2.89943"
                           yFract="0.3232277"
                           z3="5.99678"
                           zFract="0.24877812"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.38471"
                           xFract="0.63841551"
                           y3="1.35823"
                           yFract="0.15141512"
                           z3="7.91808"
                           zFract="0.34975717"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="9.95525"
                           xFract="0.88864868"
                           y3="1.32666"
                           yFract="0.14789571"
                           z3="8.02528"
                           zFract="0.347447"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="8.69335"
                           xFract="0.63871347"
                           y3="3.63085"
                           yFract="0.4047662"
                           z3="8.01221"
                           zFract="0.34662373"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.27493"
                           xFract="0.89177026"
                           y3="3.56765"
                           yFract="0.39772069"
                           z3="8.18807"
                           zFract="0.34757183"/>
                     <atom elementType="Cu"
                           id="a49"
                           x3="10.35953"
                           xFract="0.66843401"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.90692"
                           zFract="0.05000395"/>
                     <atom elementType="Cu"
                           id="a50"
                           x3="11.64782"
                           xFract="0.66843411"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.0652"
                           zFract="0.05000409"/>
                     <atom elementType="Cu"
                           id="a51"
                           x3="12.9458"
                           xFract="0.91843459"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="2.0652"
                           zFract="0.05000408"/>
                     <atom elementType="Cu"
                           id="a52"
                           x3="14.23408"
                           xFract="0.91843372"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.22348"
                           zFract="0.05000424"/>
                     <atom elementType="Cu"
                           id="a53"
                           x3="11.52189"
                           xFract="0.74343333"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.1228"
                           zFract="0.15000418"/>
                     <atom elementType="Cu"
                           id="a54"
                           x3="12.81018"
                           xFract="0.74343343"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.28107"
                           zFract="0.15000385"/>
                     <atom elementType="Cu"
                           id="a55"
                           x3="14.10815"
                           xFract="0.99343294"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.28107"
                           zFract="0.15000386"/>
                     <atom elementType="Cu"
                           id="a56"
                           x3="15.39644"
                           xFract="0.99343304"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.43935"
                           zFract="0.150004"/>
                     <atom elementType="Cu"
                           id="a57"
                           x3="8.80932"
                           xFract="0.56533033"
                           y3="5.1542"
                           yFract="0.57458886"
                           z3="6.01169"
                           zFract="0.24942124"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="11.40111"
                           xFract="0.81896702"
                           y3="5.09833"
                           yFract="0.56836049"
                           z3="6.17356"
                           zFract="0.24966801"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="10.1198"
                           xFract="0.56854828"
                           y3="7.37744"
                           yFract="0.82243507"
                           z3="6.14381"
                           zFract="0.24815618"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.65972"
                           xFract="0.81478536"
                           y3="7.36453"
                           yFract="0.82099587"
                           z3="6.31222"
                           zFract="0.24878924"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.95463"
                           xFract="0.63816453"
                           y3="5.83628"
                           yFract="0.65062696"
                           z3="8.16809"
                           zFract="0.34665066"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="12.57903"
                           xFract="0.89167822"
                           y3="5.83939"
                           yFract="0.65097366"
                           z3="8.37017"
                           zFract="0.34860072"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="11.25331"
                           xFract="0.63703158"
                           y3="8.11733"
                           yFract="0.90491782"
                           z3="8.41724"
                           zFract="0.35084102"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.82871"
                           xFract="0.88647009"
                           y3="8.10853"
                           yFract="0.9039368"
                           z3="8.41747"
                           zFract="0.34343522"/>
                     <atom elementType="Br"
                           id="a65"
                           x3="4.08948"
                           xFract="0.18465595"
                           y3="3.7934"
                           yFract="0.42288724"
                           z3="9.96435"
                           zFract="0.45167938"/>
                     <atom elementType="Br"
                           id="a66"
                           x3="6.25444"
                           xFract="0.22681102"
                           y3="6.80288"
                           yFract="0.75838328"
                           z3="10.08683"
                           zFract="0.44618108"/>
                     <atom elementType="Br"
                           id="a67"
                           x3="7.58662"
                           xFract="0.57653554"
                           y3="2.82403"
                           yFract="0.31482212"
                           z3="10.04298"
                           zFract="0.44691467"/>
                     <atom elementType="Br"
                           id="a68"
                           x3="11.1843"
                           xFract="0.98188992"
                           y3="1.78702"
                           yFract="0.19921652"
                           z3="10.15788"
                           zFract="0.44368293"/>
                     <atom elementType="Br"
                           id="a69"
                           x3="11.1020"
                           xFract="0.71814923"
                           y3="6.39318"
                           yFract="0.71271003"
                           z3="10.34738"
                           zFract="0.44516246"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a33" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a4 a33" order="S"/>
                     <bond atomRefs2="a4 a19" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a17" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a34" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a26" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a33" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a41" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a37" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a21" order="S"/>
                     <bond atomRefs2="a8 a26" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a34" order="S"/>
                     <bond atomRefs2="a8 a38" order="S"/>
                     <bond atomRefs2="a8 a37" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a23" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a25" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a26" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a29" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a16 a67" order="S"/>
                     <bond atomRefs2="a16 a43" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a26" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a30" order="S"/>
                     <bond atomRefs2="a16 a47" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a23" order="S"/>
                     <bond atomRefs2="a19 a34" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a27" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a26" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a23" order="S"/>
                     <bond atomRefs2="a22 a28" order="S"/>
                     <bond atomRefs2="a22 a24" order="S"/>
                     <bond atomRefs2="a22 a23" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a24" order="S"/>
                     <bond atomRefs2="a23 a59" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a57" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a30 a61" order="S"/>
                     <bond atomRefs2="a30 a47" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a66" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a61" order="S"/>
                     <bond atomRefs2="a33 a35" order="S"/>
                     <bond atomRefs2="a33 a34" order="S"/>
                     <bond atomRefs2="a33 a37" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a35" order="S"/>
                     <bond atomRefs2="a34 a38" order="S"/>
                     <bond atomRefs2="a34 a37" order="S"/>
                     <bond atomRefs2="a34 a36" order="S"/>
                     <bond atomRefs2="a35 a36" order="S"/>
                     <bond atomRefs2="a35 a39" order="S"/>
                     <bond atomRefs2="a35 a37" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a40" order="S"/>
                     <bond atomRefs2="a36 a39" order="S"/>
                     <bond atomRefs2="a36 a38" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a44" order="S"/>
                     <bond atomRefs2="a38 a40" order="S"/>
                     <bond atomRefs2="a38 a39" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a57" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a58" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a45 a67" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a46 a68" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a57" order="S"/>
                     <bond atomRefs2="a47 a61" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a47 a67" order="S"/>
                     <bond atomRefs2="a48 a68" order="S"/>
                     <bond atomRefs2="a48 a58" order="S"/>
                     <bond atomRefs2="a48 a62" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a61 a69" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a62 a69" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                     <bond atomRefs2="a63 a69" order="S"/>
                  </bondArray>
                  <formula concise="Br5Cu64">
                     <atomArray count="5 64" elementType="Br Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4466.463999999996</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.56">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">10.364410710831562</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">10.364412581405663</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.16843459"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.16843372"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.4184342"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.4184343"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.24343294"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.24343304"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.49343352"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.49343362"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.05383"
                           xFract="0.06598989"
                           y3="0.64609"
                           yFract="0.07202594"
                           z3="5.35839"
                           zFract="0.24852601"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="3.64757"
                           xFract="0.31492056"
                           y3="0.67836"
                           yFract="0.07562339"
                           z3="5.51066"
                           zFract="0.24816732"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="2.36314"
                           xFract="0.06777587"
                           y3="2.89308"
                           yFract="0.3225198"
                           z3="5.52181"
                           zFract="0.24870045"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.96235"
                           xFract="0.31763512"
                           y3="2.91815"
                           yFract="0.3253146"
                           z3="5.69015"
                           zFract="0.24909569"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.28114"
                           xFract="0.14791506"
                           y3="1.3072"
                           yFract="0.14572631"
                           z3="7.54931"
                           zFract="0.34718145"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="4.80698"
                           xFract="0.39051267"
                           y3="1.33532"
                           yFract="0.14886112"
                           z3="7.65292"
                           zFract="0.34473131"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="3.50221"
                           xFract="0.13990137"
                           y3="3.57706"
                           yFract="0.39876971"
                           z3="7.66442"
                           zFract="0.34529451"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.06075"
                           xFract="0.38606362"
                           y3="3.59791"
                           yFract="0.40109406"
                           z3="8.01055"
                           zFract="0.35419688"/>
                     <atom elementType="Cu"
                           id="a17"
                           x3="5.1870"
                           xFract="0.16843382"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a18"
                           x3="6.47529"
                           xFract="0.16843391"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a19"
                           x3="7.77327"
                           xFract="0.4184344"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a20"
                           x3="9.06156"
                           xFract="0.41843449"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="6.34936"
                           xFract="0.24343314"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="7.63765"
                           xFract="0.24343323"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="8.93563"
                           xFract="0.49343372"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="10.22391"
                           xFract="0.49343285"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="3.62869"
                           xFract="0.06402405"
                           y3="5.16362"
                           yFract="0.575639"
                           z3="5.70967"
                           zFract="0.25011416"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.21438"
                           xFract="0.31486317"
                           y3="5.14751"
                           yFract="0.57384306"
                           z3="5.88682"
                           zFract="0.25103257"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.92454"
                           xFract="0.0668007"
                           y3="7.36934"
                           yFract="0.82153209"
                           z3="5.83632"
                           zFract="0.24866267"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.51015"
                           xFract="0.3158973"
                           y3="7.38447"
                           yFract="0.82321878"
                           z3="5.96679"
                           zFract="0.2473282"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.78201"
                           xFract="0.13733211"
                           y3="5.85111"
                           yFract="0.65228021"
                           z3="7.91911"
                           zFract="0.34981225"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="7.40089"
                           xFract="0.38993127"
                           y3="5.86108"
                           yFract="0.65339166"
                           z3="8.00856"
                           zFract="0.34645632"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.06779"
                           xFract="0.13659424"
                           y3="8.10259"
                           yFract="0.90327461"
                           z3="8.02415"
                           zFract="0.34729449"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.69796"
                           xFract="0.39123877"
                           y3="8.09538"
                           yFract="0.90247084"
                           z3="8.10814"
                           zFract="0.34367724"/>
                     <atom elementType="Cu"
                           id="a33"
                           x3="7.78295"
                           xFract="0.66843382"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a34"
                           x3="9.07124"
                           xFract="0.66843391"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a35"
                           x3="10.36922"
                           xFract="0.9184344"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a36"
                           x3="11.65751"
                           xFract="0.91843449"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a37"
                           x3="8.94531"
                           xFract="0.74343314"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a38"
                           x3="10.2336"
                           xFract="0.74343323"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a39"
                           x3="11.53158"
                           xFract="0.99343372"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a40"
                           x3="12.81986"
                           xFract="0.99343285"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a41"
                           x3="6.26513"
                           xFract="0.57007984"
                           y3="0.63993"
                           yFract="0.07133923"
                           z3="5.70716"
                           zFract="0.24994339"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="8.81383"
                           xFract="0.81350391"
                           y3="0.69296"
                           yFract="0.077251"
                           z3="5.85337"
                           zFract="0.24939427"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="7.48622"
                           xFract="0.56199366"
                           y3="2.91113"
                           yFract="0.32453201"
                           z3="5.86793"
                           zFract="0.25020701"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.10088"
                           xFract="0.8155754"
                           y3="2.89606"
                           yFract="0.32285201"
                           z3="5.99492"
                           zFract="0.24867507"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.38452"
                           xFract="0.63911017"
                           y3="1.34539"
                           yFract="0.14998372"
                           z3="7.92671"
                           zFract="0.35018606"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="9.94818"
                           xFract="0.8885239"
                           y3="1.3166"
                           yFract="0.14677422"
                           z3="8.0299"
                           zFract="0.34770204"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="8.6948"
                           xFract="0.6386304"
                           y3="3.63487"
                           yFract="0.40521435"
                           z3="8.00976"
                           zFract="0.34649732"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.27192"
                           xFract="0.89090289"
                           y3="3.57803"
                           yFract="0.39887784"
                           z3="8.18245"
                           zFract="0.3472982"/>
                     <atom elementType="Cu"
                           id="a49"
                           x3="10.35953"
                           xFract="0.66843401"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.90692"
                           zFract="0.05000395"/>
                     <atom elementType="Cu"
                           id="a50"
                           x3="11.64782"
                           xFract="0.66843411"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.0652"
                           zFract="0.05000409"/>
                     <atom elementType="Cu"
                           id="a51"
                           x3="12.9458"
                           xFract="0.91843459"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="2.0652"
                           zFract="0.05000408"/>
                     <atom elementType="Cu"
                           id="a52"
                           x3="14.23408"
                           xFract="0.91843372"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.22348"
                           zFract="0.05000424"/>
                     <atom elementType="Cu"
                           id="a53"
                           x3="11.52189"
                           xFract="0.74343333"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.1228"
                           zFract="0.15000418"/>
                     <atom elementType="Cu"
                           id="a54"
                           x3="12.81018"
                           xFract="0.74343343"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.28107"
                           zFract="0.15000385"/>
                     <atom elementType="Cu"
                           id="a55"
                           x3="14.10815"
                           xFract="0.99343294"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.28107"
                           zFract="0.15000386"/>
                     <atom elementType="Cu"
                           id="a56"
                           x3="15.39644"
                           xFract="0.99343304"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.43935"
                           zFract="0.150004"/>
                     <atom elementType="Cu"
                           id="a57"
                           x3="8.81062"
                           xFract="0.56535326"
                           y3="5.15605"
                           yFract="0.5747951"
                           z3="6.01984"
                           zFract="0.24979867"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="11.40017"
                           xFract="0.81861738"
                           y3="5.10299"
                           yFract="0.56887999"
                           z3="6.18204"
                           zFract="0.25006277"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="10.11634"
                           xFract="0.56832932"
                           y3="7.37536"
                           yFract="0.8222032"
                           z3="6.13412"
                           zFract="0.24771276"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.6652"
                           xFract="0.81543448"
                           y3="7.36238"
                           yFract="0.82075619"
                           z3="6.30482"
                           zFract="0.24842811"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.96727"
                           xFract="0.63991058"
                           y3="5.82684"
                           yFract="0.64957459"
                           z3="8.16887"
                           zFract="0.34666673"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="12.57285"
                           xFract="0.8918405"
                           y3="5.82571"
                           yFract="0.64944862"
                           z3="8.36287"
                           zFract="0.34829721"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="11.24978"
                           xFract="0.63769158"
                           y3="8.0993"
                           yFract="0.90290784"
                           z3="8.4334"
                           zFract="0.35164326"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.82479"
                           xFract="0.88686749"
                           y3="8.09455"
                           yFract="0.90237831"
                           z3="8.42469"
                           zFract="0.34381029"/>
                     <atom elementType="Br"
                           id="a65"
                           x3="4.07745"
                           xFract="0.18157725"
                           y3="3.8279"
                           yFract="0.42673329"
                           z3="9.96607"
                           zFract="0.45173757"/>
                     <atom elementType="Br"
                           id="a66"
                           x3="6.30181"
                           xFract="0.23248009"
                           y3="6.78325"
                           yFract="0.75619493"
                           z3="10.08089"
                           zFract="0.44579711"/>
                     <atom elementType="Br"
                           id="a67"
                           x3="7.57413"
                           xFract="0.58065975"
                           y3="2.72802"
                           yFract="0.30411895"
                           z3="10.0190"
                           zFract="0.44598041"/>
                     <atom elementType="Br"
                           id="a68"
                           x3="11.19459"
                           xFract="0.98323333"
                           y3="1.78074"
                           yFract="0.19851643"
                           z3="10.1501"
                           zFract="0.4432969"/>
                     <atom elementType="Br"
                           id="a69"
                           x3="11.10805"
                           xFract="0.72103637"
                           y3="6.35172"
                           yFract="0.70808808"
                           z3="10.33765"
                           zFract="0.44475548"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a33" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a4 a33" order="S"/>
                     <bond atomRefs2="a4 a19" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a17" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a34" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a26" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a33" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a41" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a37" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a21" order="S"/>
                     <bond atomRefs2="a8 a26" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a34" order="S"/>
                     <bond atomRefs2="a8 a38" order="S"/>
                     <bond atomRefs2="a8 a37" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a23" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a25" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a26" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a29" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a16 a67" order="S"/>
                     <bond atomRefs2="a16 a43" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a26" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a30" order="S"/>
                     <bond atomRefs2="a16 a47" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a23" order="S"/>
                     <bond atomRefs2="a19 a34" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a27" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a26" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a23" order="S"/>
                     <bond atomRefs2="a22 a28" order="S"/>
                     <bond atomRefs2="a22 a24" order="S"/>
                     <bond atomRefs2="a22 a23" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a24" order="S"/>
                     <bond atomRefs2="a23 a59" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a57" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a30 a61" order="S"/>
                     <bond atomRefs2="a30 a47" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a66" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a61" order="S"/>
                     <bond atomRefs2="a33 a35" order="S"/>
                     <bond atomRefs2="a33 a34" order="S"/>
                     <bond atomRefs2="a33 a37" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a35" order="S"/>
                     <bond atomRefs2="a34 a38" order="S"/>
                     <bond atomRefs2="a34 a37" order="S"/>
                     <bond atomRefs2="a34 a36" order="S"/>
                     <bond atomRefs2="a35 a36" order="S"/>
                     <bond atomRefs2="a35 a39" order="S"/>
                     <bond atomRefs2="a35 a37" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a40" order="S"/>
                     <bond atomRefs2="a36 a39" order="S"/>
                     <bond atomRefs2="a36 a38" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a44" order="S"/>
                     <bond atomRefs2="a38 a40" order="S"/>
                     <bond atomRefs2="a38 a39" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a57" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a58" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a45 a67" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a46 a68" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a57" order="S"/>
                     <bond atomRefs2="a47 a61" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a47 a67" order="S"/>
                     <bond atomRefs2="a48 a68" order="S"/>
                     <bond atomRefs2="a48 a58" order="S"/>
                     <bond atomRefs2="a48 a62" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a61 a69" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a62 a69" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                     <bond atomRefs2="a63 a69" order="S"/>
                  </bondArray>
                  <formula concise="Br5Cu64">
                     <atomArray count="5 64" elementType="Br Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4466.463999999996</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.57">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">10.364410710831562</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">10.364412581405663</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.16843459"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.16843372"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.4184342"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.4184343"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.24343294"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.24343304"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.49343352"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.49343362"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.05379"
                           xFract="0.06603322"
                           y3="0.64524"
                           yFract="0.07193119"
                           z3="5.35865"
                           zFract="0.24853981"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="3.64398"
                           xFract="0.3148995"
                           y3="0.67249"
                           yFract="0.07496901"
                           z3="5.51433"
                           zFract="0.24836052"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="2.35815"
                           xFract="0.06727297"
                           y3="2.89345"
                           yFract="0.32256105"
                           z3="5.52097"
                           zFract="0.24867462"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.95715"
                           xFract="0.31757394"
                           y3="2.9102"
                           yFract="0.32442833"
                           z3="5.68872"
                           zFract="0.24905655"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.28287"
                           xFract="0.14821223"
                           y3="1.30486"
                           yFract="0.14546545"
                           z3="7.55007"
                           zFract="0.3472162"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="4.80962"
                           xFract="0.39120156"
                           y3="1.32751"
                           yFract="0.14799047"
                           z3="7.66322"
                           zFract="0.34522238"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="3.50038"
                           xFract="0.13996214"
                           y3="3.57278"
                           yFract="0.39829258"
                           z3="7.66255"
                           zFract="0.34521877"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.05961"
                           xFract="0.38620942"
                           y3="3.5933"
                           yFract="0.40058014"
                           z3="7.99696"
                           zFract="0.3535671"/>
                     <atom elementType="Cu"
                           id="a17"
                           x3="5.1870"
                           xFract="0.16843382"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a18"
                           x3="6.47529"
                           xFract="0.16843391"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a19"
                           x3="7.77327"
                           xFract="0.4184344"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a20"
                           x3="9.06156"
                           xFract="0.41843449"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="6.34936"
                           xFract="0.24343314"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="7.63765"
                           xFract="0.24343323"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="8.93563"
                           xFract="0.49343372"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="10.22391"
                           xFract="0.49343285"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="3.6297"
                           xFract="0.06436658"
                           y3="5.15921"
                           yFract="0.57514738"
                           z3="5.70834"
                           zFract="0.2500559"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.21425"
                           xFract="0.31556418"
                           y3="5.13466"
                           yFract="0.57241055"
                           z3="5.89068"
                           zFract="0.25123641"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.92833"
                           xFract="0.06721926"
                           y3="7.3684"
                           yFract="0.8214273"
                           z3="5.84243"
                           zFract="0.24894139"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.50834"
                           xFract="0.31584783"
                           y3="7.38221"
                           yFract="0.82296683"
                           z3="5.97245"
                           zFract="0.24760406"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.77687"
                           xFract="0.13706071"
                           y3="5.84705"
                           yFract="0.6518276"
                           z3="7.92599"
                           zFract="0.35015825"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="7.40775"
                           xFract="0.39092813"
                           y3="5.85507"
                           yFract="0.65272167"
                           z3="8.01973"
                           zFract="0.34697322"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.06657"
                           xFract="0.13630083"
                           y3="8.10575"
                           yFract="0.90362688"
                           z3="8.02125"
                           zFract="0.347156"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.69812"
                           xFract="0.39191339"
                           y3="8.08351"
                           yFract="0.90114757"
                           z3="8.11192"
                           zFract="0.34387482"/>
                     <atom elementType="Cu"
                           id="a33"
                           x3="7.78295"
                           xFract="0.66843382"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a34"
                           x3="9.07124"
                           xFract="0.66843391"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a35"
                           x3="10.36922"
                           xFract="0.9184344"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a36"
                           x3="11.65751"
                           xFract="0.91843449"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a37"
                           x3="8.94531"
                           xFract="0.74343314"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a38"
                           x3="10.2336"
                           xFract="0.74343323"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a39"
                           x3="11.53158"
                           xFract="0.99343372"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a40"
                           x3="12.81986"
                           xFract="0.99343285"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a41"
                           x3="6.26148"
                           xFract="0.570013"
                           y3="0.63478"
                           yFract="0.07076511"
                           z3="5.7116"
                           zFract="0.25017187"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="8.81633"
                           xFract="0.81409431"
                           y3="0.68668"
                           yFract="0.07655091"
                           z3="5.85816"
                           zFract="0.24962339"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="7.48935"
                           xFract="0.56261275"
                           y3="2.90543"
                           yFract="0.32389657"
                           z3="5.86946"
                           zFract="0.25027964"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.10119"
                           xFract="0.81561481"
                           y3="2.89589"
                           yFract="0.32283306"
                           z3="5.99646"
                           zFract="0.24874707"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.37852"
                           xFract="0.63942368"
                           y3="1.3293"
                           yFract="0.14819001"
                           z3="7.92539"
                           zFract="0.35016801"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="9.94581"
                           xFract="0.88838366"
                           y3="1.3150"
                           yFract="0.14659585"
                           z3="8.03166"
                           zFract="0.34779453"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="8.6935"
                           xFract="0.63871853"
                           y3="3.63102"
                           yFract="0.40478516"
                           z3="8.00756"
                           zFract="0.34640377"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.26839"
                           xFract="0.89077323"
                           y3="3.57422"
                           yFract="0.39845311"
                           z3="8.18328"
                           zFract="0.34735388"/>
                     <atom elementType="Cu"
                           id="a49"
                           x3="10.35953"
                           xFract="0.66843401"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.90692"
                           zFract="0.05000395"/>
                     <atom elementType="Cu"
                           id="a50"
                           x3="11.64782"
                           xFract="0.66843411"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.0652"
                           zFract="0.05000409"/>
                     <atom elementType="Cu"
                           id="a51"
                           x3="12.9458"
                           xFract="0.91843459"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="2.0652"
                           zFract="0.05000408"/>
                     <atom elementType="Cu"
                           id="a52"
                           x3="14.23408"
                           xFract="0.91843372"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.22348"
                           zFract="0.05000424"/>
                     <atom elementType="Cu"
                           id="a53"
                           x3="11.52189"
                           xFract="0.74343333"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.1228"
                           zFract="0.15000418"/>
                     <atom elementType="Cu"
                           id="a54"
                           x3="12.81018"
                           xFract="0.74343343"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.28107"
                           zFract="0.15000385"/>
                     <atom elementType="Cu"
                           id="a55"
                           x3="14.10815"
                           xFract="0.99343294"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.28107"
                           zFract="0.15000386"/>
                     <atom elementType="Cu"
                           id="a56"
                           x3="15.39644"
                           xFract="0.99343304"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.43935"
                           zFract="0.150004"/>
                     <atom elementType="Cu"
                           id="a57"
                           x3="8.81085"
                           xFract="0.56560706"
                           y3="5.15188"
                           yFract="0.57433023"
                           z3="6.02593"
                           zFract="0.25009211"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="11.40014"
                           xFract="0.81835071"
                           y3="5.10774"
                           yFract="0.56940951"
                           z3="6.17856"
                           zFract="0.24989084"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="10.1131"
                           xFract="0.56803945"
                           y3="7.37494"
                           yFract="0.82215637"
                           z3="6.13631"
                           zFract="0.24782607"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.66837"
                           xFract="0.81570592"
                           y3="7.36301"
                           yFract="0.82082642"
                           z3="6.30519"
                           zFract="0.24843535"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.9675"
                           xFract="0.64008941"
                           y3="5.82402"
                           yFract="0.64926022"
                           z3="8.17168"
                           zFract="0.34680327"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="12.57634"
                           xFract="0.89250216"
                           y3="5.81987"
                           yFract="0.64879758"
                           z3="8.35687"
                           zFract="0.34801399"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="11.24842"
                           xFract="0.63781389"
                           y3="8.09473"
                           yFract="0.90239838"
                           z3="8.42741"
                           zFract="0.35137239"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.82396"
                           xFract="0.88759412"
                           y3="8.08002"
                           yFract="0.90075851"
                           z3="8.42762"
                           zFract="0.3439751"/>
                     <atom elementType="Br"
                           id="a65"
                           x3="4.07152"
                           xFract="0.17951024"
                           y3="3.8548"
                           yFract="0.42973209"
                           z3="9.95684"
                           zFract="0.45127457"/>
                     <atom elementType="Br"
                           id="a66"
                           x3="6.3378"
                           xFract="0.23656545"
                           y3="6.77233"
                           yFract="0.75497757"
                           z3="10.07852"
                           zFract="0.44559975"/>
                     <atom elementType="Br"
                           id="a67"
                           x3="7.56646"
                           xFract="0.58304306"
                           y3="2.67175"
                           yFract="0.29784599"
                           z3="10.00906"
                           zFract="0.44562785"/>
                     <atom elementType="Br"
                           id="a68"
                           x3="11.20179"
                           xFract="0.98343509"
                           y3="1.78964"
                           yFract="0.1995086"
                           z3="10.14406"
                           zFract="0.44297648"/>
                     <atom elementType="Br"
                           id="a69"
                           x3="11.10764"
                           xFract="0.72173808"
                           y3="6.33837"
                           yFract="0.70659982"
                           z3="10.34674"
                           zFract="0.44520755"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a33" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a4 a33" order="S"/>
                     <bond atomRefs2="a4 a19" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a17" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a34" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a26" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a33" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a41" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a37" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a21" order="S"/>
                     <bond atomRefs2="a8 a26" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a34" order="S"/>
                     <bond atomRefs2="a8 a38" order="S"/>
                     <bond atomRefs2="a8 a37" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a23" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a25" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a26" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a29" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a16 a67" order="S"/>
                     <bond atomRefs2="a16 a43" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a26" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a30" order="S"/>
                     <bond atomRefs2="a16 a47" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a23" order="S"/>
                     <bond atomRefs2="a19 a34" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a27" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a26" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a23" order="S"/>
                     <bond atomRefs2="a22 a28" order="S"/>
                     <bond atomRefs2="a22 a24" order="S"/>
                     <bond atomRefs2="a22 a23" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a24" order="S"/>
                     <bond atomRefs2="a23 a59" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a57" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a30 a61" order="S"/>
                     <bond atomRefs2="a30 a47" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a66" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a61" order="S"/>
                     <bond atomRefs2="a33 a35" order="S"/>
                     <bond atomRefs2="a33 a34" order="S"/>
                     <bond atomRefs2="a33 a37" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a35" order="S"/>
                     <bond atomRefs2="a34 a38" order="S"/>
                     <bond atomRefs2="a34 a37" order="S"/>
                     <bond atomRefs2="a34 a36" order="S"/>
                     <bond atomRefs2="a35 a36" order="S"/>
                     <bond atomRefs2="a35 a39" order="S"/>
                     <bond atomRefs2="a35 a37" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a40" order="S"/>
                     <bond atomRefs2="a36 a39" order="S"/>
                     <bond atomRefs2="a36 a38" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a44" order="S"/>
                     <bond atomRefs2="a38 a40" order="S"/>
                     <bond atomRefs2="a38 a39" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a57" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a58" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a45 a67" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a46 a68" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a57" order="S"/>
                     <bond atomRefs2="a47 a61" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a47 a67" order="S"/>
                     <bond atomRefs2="a48 a68" order="S"/>
                     <bond atomRefs2="a48 a58" order="S"/>
                     <bond atomRefs2="a48 a62" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a61 a69" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a62 a69" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                     <bond atomRefs2="a63 a69" order="S"/>
                  </bondArray>
                  <formula concise="Br5Cu64">
                     <atomArray count="5 64" elementType="Br Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4466.463999999996</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.58">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">10.364410710831562</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">10.364412581405663</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.16843459"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.16843372"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.4184342"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.4184343"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.24343294"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.24343304"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.49343352"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.49343362"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.05376"
                           xFract="0.06608363"
                           y3="0.64428"
                           yFract="0.07182417"
                           z3="5.35895"
                           zFract="0.24855564"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="3.63992"
                           xFract="0.31487522"
                           y3="0.66586"
                           yFract="0.0742299"
                           z3="5.51847"
                           zFract="0.24857851"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="2.35252"
                           xFract="0.06670598"
                           y3="2.89386"
                           yFract="0.32260675"
                           z3="5.52003"
                           zFract="0.24864586"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.95127"
                           xFract="0.31750422"
                           y3="2.90122"
                           yFract="0.32342724"
                           z3="5.6871"
                           zFract="0.24901213"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.28483"
                           xFract="0.1485483"
                           y3="1.30222"
                           yFract="0.14517114"
                           z3="7.55092"
                           zFract="0.34725503"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="4.8126"
                           xFract="0.39197885"
                           y3="1.3187"
                           yFract="0.14700833"
                           z3="7.67484"
                           zFract="0.34577637"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="3.49832"
                           xFract="0.14003123"
                           y3="3.56795"
                           yFract="0.39775413"
                           z3="7.66044"
                           zFract="0.34513329"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.05833"
                           xFract="0.38637556"
                           y3="3.58808"
                           yFract="0.39999822"
                           z3="7.98162"
                           zFract="0.35285624"/>
                     <atom elementType="Cu"
                           id="a17"
                           x3="5.1870"
                           xFract="0.16843382"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a18"
                           x3="6.47529"
                           xFract="0.16843391"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a19"
                           x3="7.77327"
                           xFract="0.4184344"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a20"
                           x3="9.06156"
                           xFract="0.41843449"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="6.34936"
                           xFract="0.24343314"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="7.63765"
                           xFract="0.24343323"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="8.93563"
                           xFract="0.49343372"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="10.22391"
                           xFract="0.49343285"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="3.63084"
                           xFract="0.06475221"
                           y3="5.15425"
                           yFract="0.57459444"
                           z3="5.70684"
                           zFract="0.24999017"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.21411"
                           xFract="0.31635585"
                           y3="5.12016"
                           yFract="0.57079409"
                           z3="5.89504"
                           zFract="0.2514666"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.93259"
                           xFract="0.06768991"
                           y3="7.36734"
                           yFract="0.82130913"
                           z3="5.84934"
                           zFract="0.24925667"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.50631"
                           xFract="0.31579321"
                           y3="7.37966"
                           yFract="0.82268256"
                           z3="5.97883"
                           zFract="0.24791499"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.77107"
                           xFract="0.13675439"
                           y3="5.84247"
                           yFract="0.65131702"
                           z3="7.93374"
                           zFract="0.35054804"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="7.41549"
                           xFract="0.39205282"
                           y3="5.84829"
                           yFract="0.65196583"
                           z3="8.03233"
                           zFract="0.3475563"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.0652"
                           xFract="0.13597126"
                           y3="8.1093"
                           yFract="0.90402263"
                           z3="8.01798"
                           zFract="0.34699984"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.69831"
                           xFract="0.39267532"
                           y3="8.07012"
                           yFract="0.89965486"
                           z3="8.11619"
                           zFract="0.34409797"/>
                     <atom elementType="Cu"
                           id="a33"
                           x3="7.78295"
                           xFract="0.66843382"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a34"
                           x3="9.07124"
                           xFract="0.66843391"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a35"
                           x3="10.36922"
                           xFract="0.9184344"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a36"
                           x3="11.65751"
                           xFract="0.91843449"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a37"
                           x3="8.94531"
                           xFract="0.74343314"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a38"
                           x3="10.2336"
                           xFract="0.74343323"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a39"
                           x3="11.53158"
                           xFract="0.99343372"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a40"
                           x3="12.81986"
                           xFract="0.99343285"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a41"
                           x3="6.25735"
                           xFract="0.56993641"
                           y3="0.62897"
                           yFract="0.07011741"
                           z3="5.71662"
                           zFract="0.25043018"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="8.81915"
                           xFract="0.81476007"
                           y3="0.6796"
                           yFract="0.07576163"
                           z3="5.86356"
                           zFract="0.24988168"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="7.49288"
                           xFract="0.56331104"
                           y3="2.8990"
                           yFract="0.32317976"
                           z3="5.87118"
                           zFract="0.25036129"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.10153"
                           xFract="0.81565878"
                           y3="2.89569"
                           yFract="0.32281076"
                           z3="5.99821"
                           zFract="0.24882894"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.37174"
                           xFract="0.63977674"
                           y3="1.31114"
                           yFract="0.14616554"
                           z3="7.9239"
                           zFract="0.35014765"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="9.94313"
                           xFract="0.88822511"
                           y3="1.31319"
                           yFract="0.14639408"
                           z3="8.03365"
                           zFract="0.34789911"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="8.69203"
                           xFract="0.63881744"
                           y3="3.62668"
                           yFract="0.40430133"
                           z3="8.00509"
                           zFract="0.3462988"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.26442"
                           xFract="0.89062881"
                           y3="3.56991"
                           yFract="0.39797263"
                           z3="8.18422"
                           zFract="0.34741686"/>
                     <atom elementType="Cu"
                           id="a49"
                           x3="10.35953"
                           xFract="0.66843401"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.90692"
                           zFract="0.05000395"/>
                     <atom elementType="Cu"
                           id="a50"
                           x3="11.64782"
                           xFract="0.66843411"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.0652"
                           zFract="0.05000409"/>
                     <atom elementType="Cu"
                           id="a51"
                           x3="12.9458"
                           xFract="0.91843459"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="2.0652"
                           zFract="0.05000408"/>
                     <atom elementType="Cu"
                           id="a52"
                           x3="14.23408"
                           xFract="0.91843372"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.22348"
                           zFract="0.05000424"/>
                     <atom elementType="Cu"
                           id="a53"
                           x3="11.52189"
                           xFract="0.74343333"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.1228"
                           zFract="0.15000418"/>
                     <atom elementType="Cu"
                           id="a54"
                           x3="12.81018"
                           xFract="0.74343343"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.28107"
                           zFract="0.15000385"/>
                     <atom elementType="Cu"
                           id="a55"
                           x3="14.10815"
                           xFract="0.99343294"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.28107"
                           zFract="0.15000386"/>
                     <atom elementType="Cu"
                           id="a56"
                           x3="15.39644"
                           xFract="0.99343304"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.43935"
                           zFract="0.150004"/>
                     <atom elementType="Cu"
                           id="a57"
                           x3="8.81111"
                           xFract="0.56589319"
                           y3="5.14718"
                           yFract="0.57380627"
                           z3="6.03279"
                           zFract="0.25042266"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="11.40011"
                           xFract="0.81805017"
                           y3="5.1131"
                           yFract="0.57000705"
                           z3="6.17463"
                           zFract="0.24969668"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="10.10943"
                           xFract="0.56771079"
                           y3="7.37447"
                           yFract="0.82210398"
                           z3="6.13878"
                           zFract="0.2479539"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.67194"
                           xFract="0.81601103"
                           y3="7.36373"
                           yFract="0.82090669"
                           z3="6.30562"
                           zFract="0.24844412"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.96775"
                           xFract="0.64029017"
                           y3="5.82084"
                           yFract="0.64890571"
                           z3="8.17485"
                           zFract="0.34695732"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="12.58029"
                           xFract="0.89325049"
                           y3="5.81327"
                           yFract="0.64806181"
                           z3="8.35009"
                           zFract="0.34769394"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="11.24689"
                           xFract="0.63795309"
                           y3="8.08956"
                           yFract="0.90182202"
                           z3="8.42064"
                           zFract="0.35106623"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.82302"
                           xFract="0.88841397"
                           y3="8.06362"
                           yFract="0.89893024"
                           z3="8.43092"
                           zFract="0.3441608"/>
                     <atom elementType="Br"
                           id="a65"
                           x3="4.06484"
                           xFract="0.1771786"
                           y3="3.88516"
                           yFract="0.43311662"
                           z3="9.94643"
                           zFract="0.45075231"/>
                     <atom elementType="Br"
                           id="a66"
                           x3="6.37842"
                           xFract="0.2411761"
                           y3="6.76001"
                           yFract="0.75360414"
                           z3="10.07583"
                           zFract="0.44537629"/>
                     <atom elementType="Br"
                           id="a67"
                           x3="7.5578"
                           xFract="0.58573218"
                           y3="2.60825"
                           yFract="0.29076703"
                           z3="9.99786"
                           zFract="0.44523082"/>
                     <atom elementType="Br"
                           id="a68"
                           x3="11.20992"
                           xFract="0.983664"
                           y3="1.79967"
                           yFract="0.20062674"
                           z3="10.13724"
                           zFract="0.44261471"/>
                     <atom elementType="Br"
                           id="a69"
                           x3="11.10717"
                           xFract="0.72252895"
                           y3="6.32331"
                           yFract="0.70492094"
                           z3="10.35701"
                           zFract="0.44571828"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a33" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a4 a33" order="S"/>
                     <bond atomRefs2="a4 a19" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a17" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a34" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a26" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a33" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a41" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a37" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a21" order="S"/>
                     <bond atomRefs2="a8 a26" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a34" order="S"/>
                     <bond atomRefs2="a8 a38" order="S"/>
                     <bond atomRefs2="a8 a37" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a23" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a25" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a26" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a29" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a16 a43" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a26" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a30" order="S"/>
                     <bond atomRefs2="a16 a47" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a23" order="S"/>
                     <bond atomRefs2="a19 a34" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a27" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a26" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a23" order="S"/>
                     <bond atomRefs2="a22 a28" order="S"/>
                     <bond atomRefs2="a22 a24" order="S"/>
                     <bond atomRefs2="a22 a23" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a24" order="S"/>
                     <bond atomRefs2="a23 a59" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a57" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a30 a61" order="S"/>
                     <bond atomRefs2="a30 a47" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a66" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a61" order="S"/>
                     <bond atomRefs2="a33 a35" order="S"/>
                     <bond atomRefs2="a33 a34" order="S"/>
                     <bond atomRefs2="a33 a37" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a35" order="S"/>
                     <bond atomRefs2="a34 a38" order="S"/>
                     <bond atomRefs2="a34 a37" order="S"/>
                     <bond atomRefs2="a34 a36" order="S"/>
                     <bond atomRefs2="a35 a36" order="S"/>
                     <bond atomRefs2="a35 a39" order="S"/>
                     <bond atomRefs2="a35 a37" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a40" order="S"/>
                     <bond atomRefs2="a36 a39" order="S"/>
                     <bond atomRefs2="a36 a38" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a44" order="S"/>
                     <bond atomRefs2="a38 a40" order="S"/>
                     <bond atomRefs2="a38 a39" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a57" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a58" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a45 a67" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a46 a68" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a57" order="S"/>
                     <bond atomRefs2="a47 a61" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a47 a67" order="S"/>
                     <bond atomRefs2="a48 a68" order="S"/>
                     <bond atomRefs2="a48 a58" order="S"/>
                     <bond atomRefs2="a48 a62" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a61 a69" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a62 a69" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                     <bond atomRefs2="a63 a69" order="S"/>
                  </bondArray>
                  <formula concise="Br5Cu64">
                     <atomArray count="5 64" elementType="Br Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4466.463999999996</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.59">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">10.364410710831562</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">10.364412581405663</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.16843459"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.16843372"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.4184342"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.4184343"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.24343294"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.24343304"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.49343352"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.49343362"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.05428"
                           xFract="0.06622941"
                           y3="0.64256"
                           yFract="0.07163242"
                           z3="5.36594"
                           zFract="0.24888659"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="3.63605"
                           xFract="0.31480988"
                           y3="0.6603"
                           yFract="0.07361007"
                           z3="5.52074"
                           zFract="0.24870599"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="2.35263"
                           xFract="0.06668218"
                           y3="2.89448"
                           yFract="0.32267587"
                           z3="5.51986"
                           zFract="0.2486365"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.94914"
                           xFract="0.31750879"
                           y3="2.89743"
                           yFract="0.32300474"
                           z3="5.68538"
                           zFract="0.24894351"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.28481"
                           xFract="0.14862355"
                           y3="1.30083"
                           yFract="0.14501619"
                           z3="7.54482"
                           zFract="0.3469698"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="4.81278"
                           xFract="0.39236886"
                           y3="1.31199"
                           yFract="0.1462603"
                           z3="7.67544"
                           zFract="0.34581535"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="3.4989"
                           xFract="0.14053377"
                           y3="3.55991"
                           yFract="0.39685783"
                           z3="7.6584"
                           zFract="0.34504886"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.0630"
                           xFract="0.38759775"
                           y3="3.5742"
                           yFract="0.39845088"
                           z3="7.97454"
                           zFract="0.35253213"/>
                     <atom elementType="Cu"
                           id="a17"
                           x3="5.1870"
                           xFract="0.16843382"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a18"
                           x3="6.47529"
                           xFract="0.16843391"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a19"
                           x3="7.77327"
                           xFract="0.4184344"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a20"
                           x3="9.06156"
                           xFract="0.41843449"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="6.34936"
                           xFract="0.24343314"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="7.63765"
                           xFract="0.24343323"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="8.93563"
                           xFract="0.49343372"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="10.22391"
                           xFract="0.49343285"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="3.63523"
                           xFract="0.06546089"
                           y3="5.14913"
                           yFract="0.57402366"
                           z3="5.70308"
                           zFract="0.24980877"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.21628"
                           xFract="0.31693434"
                           y3="5.11352"
                           yFract="0.57005387"
                           z3="5.88826"
                           zFract="0.25115175"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.93212"
                           xFract="0.06794879"
                           y3="7.36186"
                           yFract="0.82069822"
                           z3="5.85156"
                           zFract="0.24937185"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.50673"
                           xFract="0.31602983"
                           y3="7.37613"
                           yFract="0.82228904"
                           z3="5.98226"
                           zFract="0.2480814"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.77423"
                           xFract="0.13730252"
                           y3="5.8381"
                           yFract="0.65082986"
                           z3="7.94456"
                           zFract="0.35105638"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="7.41497"
                           xFract="0.39245458"
                           y3="5.84015"
                           yFract="0.65105839"
                           z3="8.03471"
                           zFract="0.34768361"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.06509"
                           xFract="0.13669919"
                           y3="8.0960"
                           yFract="0.90253995"
                           z3="8.01623"
                           zFract="0.34693986"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.69675"
                           xFract="0.39253841"
                           y3="8.06987"
                           yFract="0.89962699"
                           z3="8.12019"
                           zFract="0.34429148"/>
                     <atom elementType="Cu"
                           id="a33"
                           x3="7.78295"
                           xFract="0.66843382"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a34"
                           x3="9.07124"
                           xFract="0.66843391"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a35"
                           x3="10.36922"
                           xFract="0.9184344"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a36"
                           x3="11.65751"
                           xFract="0.91843449"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a37"
                           x3="8.94531"
                           xFract="0.74343314"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a38"
                           x3="10.2336"
                           xFract="0.74343323"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a39"
                           x3="11.53158"
                           xFract="0.99343372"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a40"
                           x3="12.81986"
                           xFract="0.99343285"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a41"
                           x3="6.25311"
                           xFract="0.56962151"
                           y3="0.62726"
                           yFract="0.06992678"
                           z3="5.72104"
                           zFract="0.25065368"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="8.8216"
                           xFract="0.81531842"
                           y3="0.67381"
                           yFract="0.07511616"
                           z3="5.86156"
                           zFract="0.24978998"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="7.4950"
                           xFract="0.56364758"
                           y3="2.89663"
                           yFract="0.32291555"
                           z3="5.86649"
                           zFract="0.250138"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.09783"
                           xFract="0.81534722"
                           y3="2.89486"
                           yFract="0.32271823"
                           z3="5.99796"
                           zFract="0.24882921"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.36923"
                           xFract="0.64038984"
                           y3="1.29573"
                           yFract="0.14444764"
                           z3="7.90887"
                           zFract="0.34947197"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="9.94117"
                           xFract="0.88806508"
                           y3="1.31266"
                           yFract="0.14633499"
                           z3="8.03161"
                           zFract="0.34780947"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="8.68327"
                           xFract="0.6388486"
                           y3="3.61087"
                           yFract="0.40253884"
                           z3="8.01273"
                           zFract="0.34671071"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.26261"
                           xFract="0.89078204"
                           y3="3.5640"
                           yFract="0.39731378"
                           z3="8.18557"
                           zFract="0.3474956"/>
                     <atom elementType="Cu"
                           id="a49"
                           x3="10.35953"
                           xFract="0.66843401"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.90692"
                           zFract="0.05000395"/>
                     <atom elementType="Cu"
                           id="a50"
                           x3="11.64782"
                           xFract="0.66843411"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.0652"
                           zFract="0.05000409"/>
                     <atom elementType="Cu"
                           id="a51"
                           x3="12.9458"
                           xFract="0.91843459"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="2.0652"
                           zFract="0.05000408"/>
                     <atom elementType="Cu"
                           id="a52"
                           x3="14.23408"
                           xFract="0.91843372"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.22348"
                           zFract="0.05000424"/>
                     <atom elementType="Cu"
                           id="a53"
                           x3="11.52189"
                           xFract="0.74343333"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.1228"
                           zFract="0.15000418"/>
                     <atom elementType="Cu"
                           id="a54"
                           x3="12.81018"
                           xFract="0.74343343"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.28107"
                           zFract="0.15000385"/>
                     <atom elementType="Cu"
                           id="a55"
                           x3="14.10815"
                           xFract="0.99343294"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.28107"
                           zFract="0.15000386"/>
                     <atom elementType="Cu"
                           id="a56"
                           x3="15.39644"
                           xFract="0.99343304"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.43935"
                           zFract="0.150004"/>
                     <atom elementType="Cu"
                           id="a57"
                           x3="8.80827"
                           xFract="0.56573861"
                           y3="5.14502"
                           yFract="0.57356548"
                           z3="6.02989"
                           zFract="0.25029772"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="11.39959"
                           xFract="0.81806876"
                           y3="5.11186"
                           yFract="0.56986881"
                           z3="6.16913"
                           zFract="0.24944093"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="10.10941"
                           xFract="0.56787712"
                           y3="7.37144"
                           yFract="0.8217662"
                           z3="6.14354"
                           zFract="0.24818345"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.67062"
                           xFract="0.81589787"
                           y3="7.36347"
                           yFract="0.8208777"
                           z3="6.30771"
                           zFract="0.24854691"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.96875"
                           xFract="0.64049512"
                           y3="5.81889"
                           yFract="0.64868833"
                           z3="8.18317"
                           zFract="0.34734998"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="12.57668"
                           xFract="0.89281324"
                           y3="5.81486"
                           yFract="0.64823907"
                           z3="8.35363"
                           zFract="0.34786861"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="11.2477"
                           xFract="0.63859447"
                           y3="8.07942"
                           yFract="0.90069162"
                           z3="8.40972"
                           zFract="0.35056596"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.82649"
                           xFract="0.88895819"
                           y3="8.05986"
                           yFract="0.89851108"
                           z3="8.43283"
                           zFract="0.34424712"/>
                     <atom elementType="Br"
                           id="a65"
                           x3="4.07015"
                           xFract="0.17632526"
                           y3="3.90977"
                           yFract="0.43586013"
                           z3="9.93772"
                           zFract="0.45028521"/>
                     <atom elementType="Br"
                           id="a66"
                           x3="6.40256"
                           xFract="0.24321472"
                           y3="6.76532"
                           yFract="0.7541961"
                           z3="10.08564"
                           zFract="0.4457603"/>
                     <atom elementType="Br"
                           id="a67"
                           x3="7.55123"
                           xFract="0.58607999"
                           y3="2.59055"
                           yFract="0.28879383"
                           z3="10.00431"
                           zFract="0.44558345"/>
                     <atom elementType="Br"
                           id="a68"
                           x3="11.21294"
                           xFract="0.98325956"
                           y3="1.81221"
                           yFract="0.20202469"
                           z3="10.14315"
                           zFract="0.4428637"/>
                     <atom elementType="Br"
                           id="a69"
                           x3="11.10312"
                           xFract="0.72157992"
                           y3="6.33335"
                           yFract="0.7060402"
                           z3="10.36283"
                           zFract="0.44598761"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a33" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a4 a33" order="S"/>
                     <bond atomRefs2="a4 a19" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a17" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a34" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a26" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a33" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a41" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a37" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a21" order="S"/>
                     <bond atomRefs2="a8 a26" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a34" order="S"/>
                     <bond atomRefs2="a8 a38" order="S"/>
                     <bond atomRefs2="a8 a37" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a23" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a25" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a26" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a29" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a16 a43" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a26" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a30" order="S"/>
                     <bond atomRefs2="a16 a47" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a23" order="S"/>
                     <bond atomRefs2="a19 a34" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a27" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a26" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a23" order="S"/>
                     <bond atomRefs2="a22 a28" order="S"/>
                     <bond atomRefs2="a22 a24" order="S"/>
                     <bond atomRefs2="a22 a23" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a24" order="S"/>
                     <bond atomRefs2="a23 a59" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a57" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a30 a61" order="S"/>
                     <bond atomRefs2="a30 a47" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a66" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a61" order="S"/>
                     <bond atomRefs2="a33 a35" order="S"/>
                     <bond atomRefs2="a33 a34" order="S"/>
                     <bond atomRefs2="a33 a37" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a35" order="S"/>
                     <bond atomRefs2="a34 a38" order="S"/>
                     <bond atomRefs2="a34 a37" order="S"/>
                     <bond atomRefs2="a34 a36" order="S"/>
                     <bond atomRefs2="a35 a36" order="S"/>
                     <bond atomRefs2="a35 a39" order="S"/>
                     <bond atomRefs2="a35 a37" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a40" order="S"/>
                     <bond atomRefs2="a36 a39" order="S"/>
                     <bond atomRefs2="a36 a38" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a44" order="S"/>
                     <bond atomRefs2="a38 a40" order="S"/>
                     <bond atomRefs2="a38 a39" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a57" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a58" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a45 a67" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a46 a68" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a57" order="S"/>
                     <bond atomRefs2="a47 a61" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a47 a67" order="S"/>
                     <bond atomRefs2="a48 a68" order="S"/>
                     <bond atomRefs2="a48 a58" order="S"/>
                     <bond atomRefs2="a48 a62" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a61 a69" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a62 a69" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                     <bond atomRefs2="a63 a69" order="S"/>
                  </bondArray>
                  <formula concise="Br5Cu64">
                     <atomArray count="5 64" elementType="Br Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4466.463999999996</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.60">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">10.364410710831562</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">10.364412581405663</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.16843459"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.16843372"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.4184342"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.4184343"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.24343294"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.24343304"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.49343352"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.49343362"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.05512"
                           xFract="0.06646054"
                           y3="0.63986"
                           yFract="0.07133142"
                           z3="5.37698"
                           zFract="0.24940921"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="3.62992"
                           xFract="0.31470433"
                           y3="0.65153"
                           yFract="0.07263239"
                           z3="5.52431"
                           zFract="0.24890665"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="2.35282"
                           xFract="0.06664668"
                           y3="2.89545"
                           yFract="0.32278401"
                           z3="5.51958"
                           zFract="0.24862113"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.94577"
                           xFract="0.31751622"
                           y3="2.89143"
                           yFract="0.32233586"
                           z3="5.68266"
                           zFract="0.24883501"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.28479"
                           xFract="0.14874323"
                           y3="1.29864"
                           yFract="0.14477205"
                           z3="7.53519"
                           zFract="0.34651946"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="4.81307"
                           xFract="0.39298497"
                           y3="1.3014"
                           yFract="0.14507973"
                           z3="7.67639"
                           zFract="0.34587699"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="3.49982"
                           xFract="0.14132739"
                           y3="3.54722"
                           yFract="0.39544315"
                           z3="7.65516"
                           zFract="0.34491464"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.07039"
                           xFract="0.38952879"
                           y3="3.55229"
                           yFract="0.39600836"
                           z3="7.96338"
                           zFract="0.35202121"/>
                     <atom elementType="Cu"
                           id="a17"
                           x3="5.1870"
                           xFract="0.16843382"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a18"
                           x3="6.47529"
                           xFract="0.16843391"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a19"
                           x3="7.77327"
                           xFract="0.4184344"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a20"
                           x3="9.06156"
                           xFract="0.41843449"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="6.34936"
                           xFract="0.24343314"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="7.63765"
                           xFract="0.24343323"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="8.93563"
                           xFract="0.49343372"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="10.22391"
                           xFract="0.49343285"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="3.64216"
                           xFract="0.06657946"
                           y3="5.14105"
                           yFract="0.5731229"
                           z3="5.69715"
                           zFract="0.24952267"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.21971"
                           xFract="0.31784787"
                           y3="5.10304"
                           yFract="0.56888556"
                           z3="5.87756"
                           zFract="0.25065486"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.93138"
                           xFract="0.06835816"
                           y3="7.3532"
                           yFract="0.81973281"
                           z3="5.85506"
                           zFract="0.24955347"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.5074"
                           xFract="0.31640391"
                           y3="7.37056"
                           yFract="0.82166809"
                           z3="5.98767"
                           zFract="0.24834385"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.77922"
                           xFract="0.13816748"
                           y3="5.83121"
                           yFract="0.65006176"
                           z3="7.96163"
                           zFract="0.35185833"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="7.41415"
                           xFract="0.39308833"
                           y3="5.82731"
                           yFract="0.64962699"
                           z3="8.03847"
                           zFract="0.3478847"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.06491"
                           xFract="0.13784684"
                           y3="8.07502"
                           yFract="0.90020111"
                           z3="8.01346"
                           zFract="0.34684481"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.69428"
                           xFract="0.3923213"
                           y3="8.06948"
                           yFract="0.89958351"
                           z3="8.12651"
                           zFract="0.34459725"/>
                     <atom elementType="Cu"
                           id="a33"
                           x3="7.78295"
                           xFract="0.66843382"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a34"
                           x3="9.07124"
                           xFract="0.66843391"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a35"
                           x3="10.36922"
                           xFract="0.9184344"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a36"
                           x3="11.65751"
                           xFract="0.91843449"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a37"
                           x3="8.94531"
                           xFract="0.74343314"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a38"
                           x3="10.2336"
                           xFract="0.74343323"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a39"
                           x3="11.53158"
                           xFract="0.99343372"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a40"
                           x3="12.81986"
                           xFract="0.99343285"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a41"
                           x3="6.24642"
                           xFract="0.5691242"
                           y3="0.62457"
                           yFract="0.0696269"
                           z3="5.72801"
                           zFract="0.2510061"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="8.82546"
                           xFract="0.8161991"
                           y3="0.66467"
                           yFract="0.07409724"
                           z3="5.85841"
                           zFract="0.24964559"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="7.49835"
                           xFract="0.56417909"
                           y3="2.89289"
                           yFract="0.32249862"
                           z3="5.85908"
                           zFract="0.2497852"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.09197"
                           xFract="0.81485351"
                           y3="2.89355"
                           yFract="0.32257219"
                           z3="5.99757"
                           zFract="0.24882992"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.36527"
                           xFract="0.64135757"
                           y3="1.27141"
                           yFract="0.14173645"
                           z3="7.88514"
                           zFract="0.34840515"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="9.93809"
                           xFract="0.88781455"
                           y3="1.31181"
                           yFract="0.14624023"
                           z3="8.02839"
                           zFract="0.34766795"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="8.66945"
                           xFract="0.6388982"
                           y3="3.58592"
                           yFract="0.39975742"
                           z3="8.02478"
                           zFract="0.34736041"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.25975"
                           xFract="0.89102368"
                           y3="3.55467"
                           yFract="0.39627368"
                           z3="8.18771"
                           zFract="0.34762034"/>
                     <atom elementType="Cu"
                           id="a49"
                           x3="10.35953"
                           xFract="0.66843401"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.90692"
                           zFract="0.05000395"/>
                     <atom elementType="Cu"
                           id="a50"
                           x3="11.64782"
                           xFract="0.66843411"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.0652"
                           zFract="0.05000409"/>
                     <atom elementType="Cu"
                           id="a51"
                           x3="12.9458"
                           xFract="0.91843459"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="2.0652"
                           zFract="0.05000408"/>
                     <atom elementType="Cu"
                           id="a52"
                           x3="14.23408"
                           xFract="0.91843372"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.22348"
                           zFract="0.05000424"/>
                     <atom elementType="Cu"
                           id="a53"
                           x3="11.52189"
                           xFract="0.74343333"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.1228"
                           zFract="0.15000418"/>
                     <atom elementType="Cu"
                           id="a54"
                           x3="12.81018"
                           xFract="0.74343343"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.28107"
                           zFract="0.15000385"/>
                     <atom elementType="Cu"
                           id="a55"
                           x3="14.10815"
                           xFract="0.99343294"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.28107"
                           zFract="0.15000386"/>
                     <atom elementType="Cu"
                           id="a56"
                           x3="15.39644"
                           xFract="0.99343304"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.43935"
                           zFract="0.150004"/>
                     <atom elementType="Cu"
                           id="a57"
                           x3="8.8038"
                           xFract="0.56549588"
                           y3="5.14161"
                           yFract="0.57318533"
                           z3="6.0253"
                           zFract="0.2500999"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="11.39877"
                           xFract="0.81809778"
                           y3="5.10991"
                           yFract="0.56965143"
                           z3="6.16045"
                           zFract="0.24903729"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="10.10937"
                           xFract="0.56813814"
                           y3="7.36667"
                           yFract="0.82123444"
                           z3="6.15106"
                           zFract="0.2485461"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.66853"
                           xFract="0.81571916"
                           y3="7.36305"
                           yFract="0.82083088"
                           z3="6.31101"
                           zFract="0.24870924"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.97032"
                           xFract="0.64081736"
                           y3="5.81582"
                           yFract="0.64834609"
                           z3="8.19629"
                           zFract="0.34796918"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="12.57098"
                           xFract="0.89212342"
                           y3="5.81736"
                           yFract="0.64851777"
                           z3="8.35921"
                           zFract="0.34814398"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="11.24897"
                           xFract="0.63960573"
                           y3="8.06342"
                           yFract="0.89890794"
                           z3="8.39248"
                           zFract="0.34977616"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.83198"
                           xFract="0.88981873"
                           y3="8.05392"
                           yFract="0.89784889"
                           z3="8.43584"
                           zFract="0.34438312"/>
                     <atom elementType="Br"
                           id="a65"
                           x3="4.07854"
                           xFract="0.17497834"
                           y3="3.94863"
                           yFract="0.44019224"
                           z3="9.92398"
                           zFract="0.44954827"/>
                     <atom elementType="Br"
                           id="a66"
                           x3="6.44067"
                           xFract="0.24643325"
                           y3="6.7737"
                           yFract="0.7551303"
                           z3="10.10113"
                           zFract="0.44636669"/>
                     <atom elementType="Br"
                           id="a67"
                           x3="7.54086"
                           xFract="0.58662856"
                           y3="2.56262"
                           yFract="0.2856802"
                           z3="10.01449"
                           zFract="0.44614"/>
                     <atom elementType="Br"
                           id="a68"
                           x3="11.2177"
                           xFract="0.98262017"
                           y3="1.83201"
                           yFract="0.20423199"
                           z3="10.15248"
                           zFract="0.44325681"/>
                     <atom elementType="Br"
                           id="a69"
                           x3="11.09674"
                           xFract="0.72008304"
                           y3="6.3492"
                           yFract="0.70780715"
                           z3="10.37201"
                           zFract="0.44641238"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a33" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a4 a33" order="S"/>
                     <bond atomRefs2="a4 a19" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a17" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a34" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a26" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a33" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a41" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a37" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a21" order="S"/>
                     <bond atomRefs2="a8 a26" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a34" order="S"/>
                     <bond atomRefs2="a8 a38" order="S"/>
                     <bond atomRefs2="a8 a37" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a23" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a25" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a26" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a29" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a16 a43" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a26" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a30" order="S"/>
                     <bond atomRefs2="a16 a47" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a23" order="S"/>
                     <bond atomRefs2="a19 a34" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a27" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a26" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a23" order="S"/>
                     <bond atomRefs2="a22 a28" order="S"/>
                     <bond atomRefs2="a22 a24" order="S"/>
                     <bond atomRefs2="a22 a23" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a24" order="S"/>
                     <bond atomRefs2="a23 a59" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a57" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a30 a61" order="S"/>
                     <bond atomRefs2="a30 a47" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a66" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a61" order="S"/>
                     <bond atomRefs2="a33 a35" order="S"/>
                     <bond atomRefs2="a33 a34" order="S"/>
                     <bond atomRefs2="a33 a37" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a35" order="S"/>
                     <bond atomRefs2="a34 a38" order="S"/>
                     <bond atomRefs2="a34 a37" order="S"/>
                     <bond atomRefs2="a34 a36" order="S"/>
                     <bond atomRefs2="a35 a36" order="S"/>
                     <bond atomRefs2="a35 a39" order="S"/>
                     <bond atomRefs2="a35 a37" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a40" order="S"/>
                     <bond atomRefs2="a36 a39" order="S"/>
                     <bond atomRefs2="a36 a38" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a44" order="S"/>
                     <bond atomRefs2="a38 a40" order="S"/>
                     <bond atomRefs2="a38 a39" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a57" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a58" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a45 a67" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a46 a68" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a57" order="S"/>
                     <bond atomRefs2="a47 a61" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a47 a67" order="S"/>
                     <bond atomRefs2="a48 a68" order="S"/>
                     <bond atomRefs2="a48 a58" order="S"/>
                     <bond atomRefs2="a48 a62" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a61 a69" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a62 a69" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                     <bond atomRefs2="a63 a69" order="S"/>
                  </bondArray>
                  <formula concise="Br5Cu64">
                     <atomArray count="5 64" elementType="Br Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4466.463999999996</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.61">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">10.364410710831562</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">10.364412581405663</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.16843459"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.16843372"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.4184342"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.4184343"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.24343294"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.24343304"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.49343352"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.49343362"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.05388"
                           xFract="0.06649894"
                           y3="0.63701"
                           yFract="0.07101371"
                           z3="5.37821"
                           zFract="0.24947554"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="3.62891"
                           xFract="0.31477274"
                           y3="0.64854"
                           yFract="0.07229907"
                           z3="5.52186"
                           zFract="0.24879904"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="2.35191"
                           xFract="0.06659426"
                           y3="2.89481"
                           yFract="0.32271266"
                           z3="5.51799"
                           zFract="0.24854985"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.94616"
                           xFract="0.31779825"
                           y3="2.88703"
                           yFract="0.32184535"
                           z3="5.68124"
                           zFract="0.24877428"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.27865"
                           xFract="0.14828909"
                           y3="1.29613"
                           yFract="0.14449223"
                           z3="7.53652"
                           zFract="0.34660408"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="4.81058"
                           xFract="0.39304636"
                           y3="1.29596"
                           yFract="0.14447328"
                           z3="7.67537"
                           zFract="0.34584517"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="3.49981"
                           xFract="0.14161074"
                           y3="3.5421"
                           yFract="0.39487238"
                           z3="7.65279"
                           zFract="0.34481147"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.07386"
                           xFract="0.39052948"
                           y3="3.54031"
                           yFract="0.39467283"
                           z3="7.95876"
                           zFract="0.35181337"/>
                     <atom elementType="Cu"
                           id="a17"
                           x3="5.1870"
                           xFract="0.16843382"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a18"
                           x3="6.47529"
                           xFract="0.16843391"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a19"
                           x3="7.77327"
                           xFract="0.4184344"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a20"
                           x3="9.06156"
                           xFract="0.41843449"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="6.34936"
                           xFract="0.24343314"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="7.63765"
                           xFract="0.24343323"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="8.93563"
                           xFract="0.49343372"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="10.22391"
                           xFract="0.49343285"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="3.64218"
                           xFract="0.06662304"
                           y3="5.1403"
                           yFract="0.57303929"
                           z3="5.69991"
                           zFract="0.249654"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.21974"
                           xFract="0.31790296"
                           y3="5.1021"
                           yFract="0.56878077"
                           z3="5.87681"
                           zFract="0.25062098"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.93078"
                           xFract="0.06870109"
                           y3="7.34598"
                           yFract="0.81892792"
                           z3="5.85576"
                           zFract="0.24960026"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.50759"
                           xFract="0.31665328"
                           y3="7.3664"
                           yFract="0.82120434"
                           z3="5.98754"
                           zFract="0.24834412"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.78091"
                           xFract="0.13883063"
                           y3="5.82221"
                           yFract="0.64905844"
                           z3="7.9683"
                           zFract="0.35218298"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="7.41347"
                           xFract="0.39352238"
                           y3="5.81831"
                           yFract="0.64862367"
                           z3="8.03723"
                           zFract="0.34784323"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.06517"
                           xFract="0.13841729"
                           y3="8.0652"
                           yFract="0.89910638"
                           z3="8.01666"
                           zFract="0.34701134"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.69125"
                           xFract="0.39215779"
                           y3="8.06715"
                           yFract="0.89932376"
                           z3="8.13138"
                           zFract="0.3448395"/>
                     <atom elementType="Cu"
                           id="a33"
                           x3="7.78295"
                           xFract="0.66843382"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a34"
                           x3="9.07124"
                           xFract="0.66843391"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a35"
                           x3="10.36922"
                           xFract="0.9184344"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a36"
                           x3="11.65751"
                           xFract="0.91843449"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a37"
                           x3="8.94531"
                           xFract="0.74343314"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a38"
                           x3="10.2336"
                           xFract="0.74343323"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a39"
                           x3="11.53158"
                           xFract="0.99343372"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a40"
                           x3="12.81986"
                           xFract="0.99343285"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a41"
                           x3="6.24391"
                           xFract="0.56896043"
                           y3="0.62315"
                           yFract="0.0694686"
                           z3="5.72081"
                           zFract="0.25067624"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="8.82681"
                           xFract="0.81655949"
                           y3="0.66053"
                           yFract="0.07363571"
                           z3="5.8533"
                           zFract="0.24940767"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="7.49913"
                           xFract="0.56445885"
                           y3="2.88921"
                           yFract="0.32208837"
                           z3="5.85487"
                           zFract="0.24959059"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.08993"
                           xFract="0.81470962"
                           y3="2.89259"
                           yFract="0.32246517"
                           z3="5.99839"
                           zFract="0.24887607"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.36699"
                           xFract="0.64178927"
                           y3="1.26663"
                           yFract="0.14120358"
                           z3="7.88134"
                           zFract="0.348229"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="9.94003"
                           xFract="0.88825697"
                           y3="1.30722"
                           yFract="0.14572854"
                           z3="8.03094"
                           zFract="0.34779025"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="8.66545"
                           xFract="0.63899133"
                           y3="3.57728"
                           yFract="0.39879424"
                           z3="8.02956"
                           zFract="0.34761175"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.25728"
                           xFract="0.89089543"
                           y3="3.55268"
                           yFract="0.39605183"
                           z3="8.18744"
                           zFract="0.34761806"/>
                     <atom elementType="Cu"
                           id="a49"
                           x3="10.35953"
                           xFract="0.66843401"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.90692"
                           zFract="0.05000395"/>
                     <atom elementType="Cu"
                           id="a50"
                           x3="11.64782"
                           xFract="0.66843411"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.0652"
                           zFract="0.05000409"/>
                     <atom elementType="Cu"
                           id="a51"
                           x3="12.9458"
                           xFract="0.91843459"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="2.0652"
                           zFract="0.05000408"/>
                     <atom elementType="Cu"
                           id="a52"
                           x3="14.23408"
                           xFract="0.91843372"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.22348"
                           zFract="0.05000424"/>
                     <atom elementType="Cu"
                           id="a53"
                           x3="11.52189"
                           xFract="0.74343333"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.1228"
                           zFract="0.15000418"/>
                     <atom elementType="Cu"
                           id="a54"
                           x3="12.81018"
                           xFract="0.74343343"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.28107"
                           zFract="0.15000385"/>
                     <atom elementType="Cu"
                           id="a55"
                           x3="14.10815"
                           xFract="0.99343294"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.28107"
                           zFract="0.15000386"/>
                     <atom elementType="Cu"
                           id="a56"
                           x3="15.39644"
                           xFract="0.99343304"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.43935"
                           zFract="0.150004"/>
                     <atom elementType="Cu"
                           id="a57"
                           x3="8.80389"
                           xFract="0.56570338"
                           y3="5.13803"
                           yFract="0.57278624"
                           z3="6.03072"
                           zFract="0.25036117"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="11.39793"
                           xFract="0.81816263"
                           y3="5.10728"
                           yFract="0.56935823"
                           z3="6.16372"
                           zFract="0.24919829"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="10.10748"
                           xFract="0.56820089"
                           y3="7.36225"
                           yFract="0.8207417"
                           z3="6.15195"
                           zFract="0.2486009"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.66939"
                           xFract="0.81598333"
                           y3="7.35979"
                           yFract="0.82046746"
                           z3="6.31053"
                           zFract="0.24868957"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.9669"
                           xFract="0.64101098"
                           y3="5.80638"
                           yFract="0.64729372"
                           z3="8.19893"
                           zFract="0.34811929"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="12.57125"
                           xFract="0.8923661"
                           y3="5.81346"
                           yFract="0.64808299"
                           z3="8.3606"
                           zFract="0.34821525"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="11.2487"
                           xFract="0.64005887"
                           y3="8.05479"
                           yFract="0.89794587"
                           z3="8.38772"
                           zFract="0.34956692"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.83659"
                           xFract="0.89043484"
                           y3="8.05085"
                           yFract="0.89750664"
                           z3="8.43718"
                           zFract="0.34443813"/>
                     <atom elementType="Br"
                           id="a65"
                           x3="4.0862"
                           xFract="0.17434273"
                           y3="3.97341"
                           yFract="0.4429547"
                           z3="9.91653"
                           zFract="0.44913352"/>
                     <atom elementType="Br"
                           id="a66"
                           x3="6.46401"
                           xFract="0.24810966"
                           y3="6.78414"
                           yFract="0.75629415"
                           z3="10.10977"
                           zFract="0.44668927"/>
                     <atom elementType="Br"
                           id="a67"
                           x3="7.53441"
                           xFract="0.58666923"
                           y3="2.55066"
                           yFract="0.28434691"
                           z3="10.01549"
                           zFract="0.44622574"/>
                     <atom elementType="Br"
                           id="a68"
                           x3="11.22055"
                           xFract="0.98229371"
                           y3="1.84285"
                           yFract="0.20544043"
                           z3="10.15283"
                           zFract="0.44324698"/>
                     <atom elementType="Br"
                           id="a69"
                           x3="11.09384"
                           xFract="0.71904082"
                           y3="6.36292"
                           yFract="0.70933665"
                           z3="10.37466"
                           zFract="0.44652278"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a33" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a4 a33" order="S"/>
                     <bond atomRefs2="a4 a19" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a17" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a34" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a26" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a33" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a41" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a37" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a21" order="S"/>
                     <bond atomRefs2="a8 a26" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a34" order="S"/>
                     <bond atomRefs2="a8 a38" order="S"/>
                     <bond atomRefs2="a8 a37" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a23" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a25" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a26" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a29" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a16 a43" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a26" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a30" order="S"/>
                     <bond atomRefs2="a16 a47" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a23" order="S"/>
                     <bond atomRefs2="a19 a34" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a27" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a26" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a23" order="S"/>
                     <bond atomRefs2="a22 a28" order="S"/>
                     <bond atomRefs2="a22 a24" order="S"/>
                     <bond atomRefs2="a22 a23" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a24" order="S"/>
                     <bond atomRefs2="a23 a59" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a57" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a30 a61" order="S"/>
                     <bond atomRefs2="a30 a47" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a66" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a61" order="S"/>
                     <bond atomRefs2="a33 a35" order="S"/>
                     <bond atomRefs2="a33 a34" order="S"/>
                     <bond atomRefs2="a33 a37" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a35" order="S"/>
                     <bond atomRefs2="a34 a38" order="S"/>
                     <bond atomRefs2="a34 a37" order="S"/>
                     <bond atomRefs2="a34 a36" order="S"/>
                     <bond atomRefs2="a35 a36" order="S"/>
                     <bond atomRefs2="a35 a39" order="S"/>
                     <bond atomRefs2="a35 a37" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a40" order="S"/>
                     <bond atomRefs2="a36 a39" order="S"/>
                     <bond atomRefs2="a36 a38" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a44" order="S"/>
                     <bond atomRefs2="a38 a40" order="S"/>
                     <bond atomRefs2="a38 a39" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a57" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a58" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a45 a67" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a46 a68" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a57" order="S"/>
                     <bond atomRefs2="a47 a61" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a47 a67" order="S"/>
                     <bond atomRefs2="a48 a68" order="S"/>
                     <bond atomRefs2="a48 a58" order="S"/>
                     <bond atomRefs2="a48 a62" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a61 a69" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a62 a69" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                     <bond atomRefs2="a63 a69" order="S"/>
                  </bondArray>
                  <formula concise="Br5Cu64">
                     <atomArray count="5 64" elementType="Br Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4466.463999999996</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.62">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">10.364410710831562</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">10.364412581405663</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.16843459"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.16843372"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.4184342"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.4184343"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.24343294"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.24343304"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.49343352"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.49343362"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.05016"
                           xFract="0.06661359"
                           y3="0.62847"
                           yFract="0.07006167"
                           z3="5.38188"
                           zFract="0.24967357"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="3.62589"
                           xFract="0.31497948"
                           y3="0.63956"
                           yFract="0.07129798"
                           z3="5.51451"
                           zFract="0.2484762"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="2.34917"
                           xFract="0.06643713"
                           y3="2.89287"
                           yFract="0.32249639"
                           z3="5.51319"
                           zFract="0.24833468"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.94731"
                           xFract="0.31864243"
                           y3="2.87383"
                           yFract="0.32037381"
                           z3="5.67696"
                           zFract="0.2485912"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.26026"
                           xFract="0.14692958"
                           y3="1.2886"
                           yFract="0.14365279"
                           z3="7.54048"
                           zFract="0.34685643"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="4.80311"
                           xFract="0.39323055"
                           y3="1.27964"
                           yFract="0.14265393"
                           z3="7.67231"
                           zFract="0.3457497"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="3.4998"
                           xFract="0.14246329"
                           y3="3.52673"
                           yFract="0.39315893"
                           z3="7.64568"
                           zFract="0.34450194"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.0843"
                           xFract="0.39353334"
                           y3="3.50439"
                           yFract="0.39066848"
                           z3="7.9449"
                           zFract="0.35118974"/>
                     <atom elementType="Cu"
                           id="a17"
                           x3="5.1870"
                           xFract="0.16843382"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a18"
                           x3="6.47529"
                           xFract="0.16843391"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a19"
                           x3="7.77327"
                           xFract="0.4184344"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a20"
                           x3="9.06156"
                           xFract="0.41843449"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="6.34936"
                           xFract="0.24343314"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="7.63765"
                           xFract="0.24343323"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="8.93563"
                           xFract="0.49343372"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="10.22391"
                           xFract="0.49343285"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="3.64225"
                           xFract="0.06675476"
                           y3="5.13805"
                           yFract="0.57278846"
                           z3="5.70819"
                           zFract="0.25004795"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.21982"
                           xFract="0.3180673"
                           y3="5.09928"
                           yFract="0.5684664"
                           z3="5.87456"
                           zFract="0.25051937"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.92897"
                           xFract="0.06973005"
                           y3="7.3243"
                           yFract="0.81651104"
                           z3="5.85785"
                           zFract="0.24974024"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.50816"
                           xFract="0.31740196"
                           y3="7.35391"
                           yFract="0.81981196"
                           z3="5.98715"
                           zFract="0.24834494"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.78599"
                           xFract="0.14082102"
                           y3="5.79521"
                           yFract="0.64604849"
                           z3="7.98833"
                           zFract="0.35315782"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="7.41145"
                           xFract="0.39482646"
                           y3="5.79131"
                           yFract="0.64561372"
                           z3="8.03349"
                           zFract="0.34771781"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.06595"
                           xFract="0.14012696"
                           y3="8.03577"
                           yFract="0.89582553"
                           z3="8.02624"
                           zFract="0.34750994"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.68216"
                           xFract="0.39166672"
                           y3="8.06017"
                           yFract="0.89854564"
                           z3="8.14599"
                           zFract="0.34556624"/>
                     <atom elementType="Cu"
                           id="a33"
                           x3="7.78295"
                           xFract="0.66843382"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a34"
                           x3="9.07124"
                           xFract="0.66843391"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a35"
                           x3="10.36922"
                           xFract="0.9184344"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a36"
                           x3="11.65751"
                           xFract="0.91843449"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a37"
                           x3="8.94531"
                           xFract="0.74343314"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a38"
                           x3="10.2336"
                           xFract="0.74343323"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a39"
                           x3="11.53158"
                           xFract="0.99343372"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a40"
                           x3="12.81986"
                           xFract="0.99343285"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a41"
                           x3="6.23637"
                           xFract="0.56846647"
                           y3="0.61892"
                           yFract="0.06899704"
                           z3="5.69921"
                           zFract="0.24968663"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="8.83085"
                           xFract="0.8176386"
                           y3="0.64813"
                           yFract="0.07225336"
                           z3="5.83795"
                           zFract="0.24869298"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="7.50145"
                           xFract="0.56529617"
                           y3="2.87817"
                           yFract="0.32085764"
                           z3="5.84222"
                           zFract="0.24900589"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.08378"
                           xFract="0.81427562"
                           y3="2.8897"
                           yFract="0.322143"
                           z3="6.00085"
                           zFract="0.24901463"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.37215"
                           xFract="0.64308382"
                           y3="1.2523"
                           yFract="0.13960608"
                           z3="7.86993"
                           zFract="0.34770007"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="9.94584"
                           xFract="0.88958325"
                           y3="1.29345"
                           yFract="0.14419347"
                           z3="8.03859"
                           zFract="0.34815718"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="8.65347"
                           xFract="0.63927266"
                           y3="3.55136"
                           yFract="0.39590468"
                           z3="8.04389"
                           zFract="0.34836526"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.24985"
                           xFract="0.89050873"
                           y3="3.54671"
                           yFract="0.3953863"
                           z3="8.18662"
                           zFract="0.34761081"/>
                     <atom elementType="Cu"
                           id="a49"
                           x3="10.35953"
                           xFract="0.66843401"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.90692"
                           zFract="0.05000395"/>
                     <atom elementType="Cu"
                           id="a50"
                           x3="11.64782"
                           xFract="0.66843411"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.0652"
                           zFract="0.05000409"/>
                     <atom elementType="Cu"
                           id="a51"
                           x3="12.9458"
                           xFract="0.91843459"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="2.0652"
                           zFract="0.05000408"/>
                     <atom elementType="Cu"
                           id="a52"
                           x3="14.23408"
                           xFract="0.91843372"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.22348"
                           zFract="0.05000424"/>
                     <atom elementType="Cu"
                           id="a53"
                           x3="11.52189"
                           xFract="0.74343333"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.1228"
                           zFract="0.15000418"/>
                     <atom elementType="Cu"
                           id="a54"
                           x3="12.81018"
                           xFract="0.74343343"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.28107"
                           zFract="0.15000385"/>
                     <atom elementType="Cu"
                           id="a55"
                           x3="14.10815"
                           xFract="0.99343294"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.28107"
                           zFract="0.15000386"/>
                     <atom elementType="Cu"
                           id="a56"
                           x3="15.39644"
                           xFract="0.99343304"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.43935"
                           zFract="0.150004"/>
                     <atom elementType="Cu"
                           id="a57"
                           x3="8.80415"
                           xFract="0.56632548"
                           y3="5.12728"
                           yFract="0.57158783"
                           z3="6.04698"
                           zFract="0.25114503"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="11.39539"
                           xFract="0.81835469"
                           y3="5.0994"
                           yFract="0.56847977"
                           z3="6.17353"
                           zFract="0.24968132"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="10.10181"
                           xFract="0.56838859"
                           y3="7.3490"
                           yFract="0.81926459"
                           z3="6.15464"
                           zFract="0.24876622"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.67197"
                           xFract="0.81677637"
                           y3="7.3500"
                           yFract="0.81937607"
                           z3="6.3091"
                           zFract="0.24863105"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.95663"
                           xFract="0.64159143"
                           y3="5.77805"
                           yFract="0.6441355"
                           z3="8.20687"
                           zFract="0.3485706"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="12.57207"
                           xFract="0.89309507"
                           y3="5.80176"
                           yFract="0.64677868"
                           z3="8.36477"
                           zFract="0.34842904"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="11.24786"
                           xFract="0.64141481"
                           y3="8.02891"
                           yFract="0.89506078"
                           z3="8.37344"
                           zFract="0.34893927"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.85041"
                           xFract="0.89228163"
                           y3="8.04165"
                           yFract="0.89648103"
                           z3="8.44118"
                           zFract="0.34460221"/>
                     <atom elementType="Br"
                           id="a65"
                           x3="4.10918"
                           xFract="0.17243534"
                           y3="4.04776"
                           yFract="0.45124322"
                           z3="9.8942"
                           zFract="0.44789018"/>
                     <atom elementType="Br"
                           id="a66"
                           x3="6.53403"
                           xFract="0.25314054"
                           y3="6.81543"
                           yFract="0.75978235"
                           z3="10.13568"
                           zFract="0.44765662"/>
                     <atom elementType="Br"
                           id="a67"
                           x3="7.51504"
                           xFract="0.58678985"
                           y3="2.51477"
                           yFract="0.2803459"
                           z3="10.01849"
                           zFract="0.44648302"/>
                     <atom elementType="Br"
                           id="a68"
                           x3="11.22911"
                           xFract="0.98131473"
                           y3="1.87538"
                           yFract="0.20906687"
                           z3="10.15388"
                           zFract="0.44321746"/>
                     <atom elementType="Br"
                           id="a69"
                           x3="11.08513"
                           xFract="0.71591266"
                           y3="6.40409"
                           yFract="0.71392627"
                           z3="10.38259"
                           zFract="0.44685305"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a33" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a4 a33" order="S"/>
                     <bond atomRefs2="a4 a19" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a17" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a34" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a26" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a33" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a41" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a37" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a21" order="S"/>
                     <bond atomRefs2="a8 a26" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a34" order="S"/>
                     <bond atomRefs2="a8 a38" order="S"/>
                     <bond atomRefs2="a8 a37" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a23" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a25" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a26" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a29" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a16 a43" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a26" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a30" order="S"/>
                     <bond atomRefs2="a16 a47" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a23" order="S"/>
                     <bond atomRefs2="a19 a34" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a27" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a26" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a23" order="S"/>
                     <bond atomRefs2="a22 a28" order="S"/>
                     <bond atomRefs2="a22 a24" order="S"/>
                     <bond atomRefs2="a22 a23" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a24" order="S"/>
                     <bond atomRefs2="a23 a59" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a57" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a30 a61" order="S"/>
                     <bond atomRefs2="a30 a47" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a66" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a61" order="S"/>
                     <bond atomRefs2="a33 a35" order="S"/>
                     <bond atomRefs2="a33 a34" order="S"/>
                     <bond atomRefs2="a33 a37" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a35" order="S"/>
                     <bond atomRefs2="a34 a38" order="S"/>
                     <bond atomRefs2="a34 a37" order="S"/>
                     <bond atomRefs2="a34 a36" order="S"/>
                     <bond atomRefs2="a35 a36" order="S"/>
                     <bond atomRefs2="a35 a39" order="S"/>
                     <bond atomRefs2="a35 a37" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a40" order="S"/>
                     <bond atomRefs2="a36 a39" order="S"/>
                     <bond atomRefs2="a36 a38" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a44" order="S"/>
                     <bond atomRefs2="a38 a40" order="S"/>
                     <bond atomRefs2="a38 a39" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a57" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a58" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a45 a67" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a46 a68" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a57" order="S"/>
                     <bond atomRefs2="a47 a61" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a47 a67" order="S"/>
                     <bond atomRefs2="a48 a68" order="S"/>
                     <bond atomRefs2="a48 a58" order="S"/>
                     <bond atomRefs2="a48 a62" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a61 a69" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a62 a69" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                     <bond atomRefs2="a63 a69" order="S"/>
                  </bondArray>
                  <formula concise="Br5Cu64">
                     <atomArray count="5 64" elementType="Br Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4466.463999999996</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.63">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">10.364410710831562</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">10.364412581405663</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.16843459"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.16843372"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.4184342"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.4184343"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.24343294"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.24343304"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.49343352"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.49343362"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.04273"
                           xFract="0.0668444"
                           y3="0.61138"
                           yFract="0.06815648"
                           z3="5.38922"
                           zFract="0.25006963"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="3.61984"
                           xFract="0.31539145"
                           y3="0.62161"
                           yFract="0.06929692"
                           z3="5.49982"
                           zFract="0.24783101"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="2.34369"
                           xFract="0.06612342"
                           y3="2.88898"
                           yFract="0.32206273"
                           z3="5.5036"
                           zFract="0.24790482"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.94962"
                           xFract="0.3203323"
                           y3="2.84742"
                           yFract="0.31742963"
                           z3="5.6684"
                           zFract="0.24822505"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.22346"
                           xFract="0.14420863"
                           y3="1.27354"
                           yFract="0.1419739"
                           z3="7.54841"
                           zFract="0.34736167"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="4.78817"
                           xFract="0.3935978"
                           y3="1.24702"
                           yFract="0.13901746"
                           z3="7.66619"
                           zFract="0.34555874"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="3.49976"
                           xFract="0.14416589"
                           y3="3.4960"
                           yFract="0.38973316"
                           z3="7.63146"
                           zFract="0.34388291"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.10516"
                           xFract="0.39953967"
                           y3="3.43254"
                           yFract="0.38265866"
                           z3="7.91718"
                           zFract="0.34994256"/>
                     <atom elementType="Cu"
                           id="a17"
                           x3="5.1870"
                           xFract="0.16843382"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a18"
                           x3="6.47529"
                           xFract="0.16843391"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a19"
                           x3="7.77327"
                           xFract="0.4184344"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a20"
                           x3="9.06156"
                           xFract="0.41843449"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="6.34936"
                           xFract="0.24343314"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="7.63765"
                           xFract="0.24343323"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="8.93563"
                           xFract="0.49343372"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="10.22391"
                           xFract="0.49343285"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="3.64238"
                           xFract="0.06701666"
                           y3="5.13356"
                           yFract="0.57228792"
                           z3="5.72476"
                           zFract="0.25083635"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.2200"
                           xFract="0.31839789"
                           y3="5.09364"
                           yFract="0.56783765"
                           z3="5.87008"
                           zFract="0.25031704"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.92537"
                           xFract="0.07178933"
                           y3="7.28095"
                           yFract="0.81167839"
                           z3="5.86204"
                           zFract="0.25002058"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.5093"
                           xFract="0.31889877"
                           y3="7.32894"
                           yFract="0.81702831"
                           z3="5.98638"
                           zFract="0.24834705"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.79615"
                           xFract="0.14480181"
                           y3="5.74121"
                           yFract="0.64002858"
                           z3="8.02839"
                           zFract="0.3551075"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="7.4074"
                           xFract="0.39743309"
                           y3="5.73732"
                           yFract="0.63959493"
                           z3="8.02602"
                           zFract="0.34746746"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.06752"
                           xFract="0.14354784"
                           y3="7.9769"
                           yFract="0.88926272"
                           z3="8.0454"
                           zFract="0.34850711"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.66397"
                           xFract="0.39068361"
                           y3="8.04621"
                           yFract="0.89698938"
                           z3="8.17522"
                           zFract="0.34702023"/>
                     <atom elementType="Cu"
                           id="a33"
                           x3="7.78295"
                           xFract="0.66843382"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a34"
                           x3="9.07124"
                           xFract="0.66843391"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a35"
                           x3="10.36922"
                           xFract="0.9184344"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a36"
                           x3="11.65751"
                           xFract="0.91843449"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a37"
                           x3="8.94531"
                           xFract="0.74343314"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a38"
                           x3="10.2336"
                           xFract="0.74343323"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a39"
                           x3="11.53158"
                           xFract="0.99343372"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a40"
                           x3="12.81986"
                           xFract="0.99343285"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a41"
                           x3="6.22129"
                           xFract="0.56747968"
                           y3="0.61044"
                           yFract="0.06805169"
                           z3="5.65601"
                           zFract="0.24770745"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="8.83893"
                           xFract="0.81979794"
                           y3="0.62331"
                           yFract="0.06948644"
                           z3="5.80726"
                           zFract="0.2472641"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="7.50611"
                           xFract="0.56697331"
                           y3="2.85608"
                           yFract="0.31839505"
                           z3="5.81692"
                           zFract="0.24783646"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.07149"
                           xFract="0.81340858"
                           y3="2.88392"
                           yFract="0.32149864"
                           z3="6.00576"
                           zFract="0.24929125"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.38247"
                           xFract="0.64567403"
                           y3="1.22362"
                           yFract="0.13640884"
                           z3="7.84712"
                           zFract="0.34664271"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="9.95747"
                           xFract="0.89223679"
                           y3="1.26591"
                           yFract="0.14112331"
                           z3="8.05388"
                           zFract="0.34889053"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="8.6295"
                           xFract="0.63983378"
                           y3="3.49953"
                           yFract="0.39012669"
                           z3="8.07255"
                           zFract="0.3498723"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.23499"
                           xFract="0.88973478"
                           y3="3.53478"
                           yFract="0.39405635"
                           z3="8.18498"
                           zFract="0.34759628"/>
                     <atom elementType="Cu"
                           id="a49"
                           x3="10.35953"
                           xFract="0.66843401"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.90692"
                           zFract="0.05000395"/>
                     <atom elementType="Cu"
                           id="a50"
                           x3="11.64782"
                           xFract="0.66843411"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.0652"
                           zFract="0.05000409"/>
                     <atom elementType="Cu"
                           id="a51"
                           x3="12.9458"
                           xFract="0.91843459"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="2.0652"
                           zFract="0.05000408"/>
                     <atom elementType="Cu"
                           id="a52"
                           x3="14.23408"
                           xFract="0.91843372"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.22348"
                           zFract="0.05000424"/>
                     <atom elementType="Cu"
                           id="a53"
                           x3="11.52189"
                           xFract="0.74343333"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.1228"
                           zFract="0.15000418"/>
                     <atom elementType="Cu"
                           id="a54"
                           x3="12.81018"
                           xFract="0.74343343"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.28107"
                           zFract="0.15000385"/>
                     <atom elementType="Cu"
                           id="a55"
                           x3="14.10815"
                           xFract="0.99343294"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.28107"
                           zFract="0.15000386"/>
                     <atom elementType="Cu"
                           id="a56"
                           x3="15.39644"
                           xFract="0.99343304"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.43935"
                           zFract="0.150004"/>
                     <atom elementType="Cu"
                           id="a57"
                           x3="8.80468"
                           xFract="0.56757063"
                           y3="5.10578"
                           yFract="0.56919101"
                           z3="6.07948"
                           zFract="0.25271177"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="11.39031"
                           xFract="0.8187388"
                           y3="5.08364"
                           yFract="0.56672285"
                           z3="6.19316"
                           zFract="0.25064784"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="10.09047"
                           xFract="0.56876454"
                           y3="7.32249"
                           yFract="0.81630926"
                           z3="6.16001"
                           zFract="0.24909641"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.67713"
                           xFract="0.81836246"
                           y3="7.33042"
                           yFract="0.8171933"
                           z3="6.30624"
                           zFract="0.24851401"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.9361"
                           xFract="0.64275219"
                           y3="5.72141"
                           yFract="0.63782128"
                           z3="8.22274"
                           zFract="0.3494727"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="12.57371"
                           xFract="0.89455303"
                           y3="5.77836"
                           yFract="0.64417006"
                           z3="8.37311"
                           zFract="0.34885662"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="11.24619"
                           xFract="0.64412768"
                           y3="7.97715"
                           yFract="0.88929059"
                           z3="8.34488"
                           zFract="0.34768394"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.87806"
                           xFract="0.89597673"
                           y3="8.02324"
                           yFract="0.89442869"
                           z3="8.44918"
                           zFract="0.34493037"/>
                     <atom elementType="Br"
                           id="a65"
                           x3="4.15514"
                           xFract="0.16862112"
                           y3="4.19645"
                           yFract="0.46781914"
                           z3="9.84955"
                           zFract="0.44540401"/>
                     <atom elementType="Br"
                           id="a66"
                           x3="6.67406"
                           xFract="0.26320078"
                           y3="6.87802"
                           yFract="0.76675986"
                           z3="10.18751"
                           zFract="0.44959179"/>
                     <atom elementType="Br"
                           id="a67"
                           x3="7.4763"
                           xFract="0.58703164"
                           y3="2.44298"
                           yFract="0.27234277"
                           z3="10.02448"
                           zFract="0.44699713"/>
                     <atom elementType="Br"
                           id="a68"
                           x3="11.24622"
                           xFract="0.9793558"
                           y3="1.94044"
                           yFract="0.21631974"
                           z3="10.1560"
                           zFract="0.44315939"/>
                     <atom elementType="Br"
                           id="a69"
                           x3="11.06771"
                           xFract="0.70965633"
                           y3="6.48643"
                           yFract="0.72310551"
                           z3="10.39847"
                           zFract="0.44751454"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a33" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a4 a33" order="S"/>
                     <bond atomRefs2="a4 a19" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a17" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a34" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a26" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a7 a33" order="S"/>
                     <bond atomRefs2="a7 a41" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a37" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a21" order="S"/>
                     <bond atomRefs2="a8 a26" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a34" order="S"/>
                     <bond atomRefs2="a8 a38" order="S"/>
                     <bond atomRefs2="a8 a37" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a23" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a25" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a26" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a29" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a16 a43" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a26" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a30" order="S"/>
                     <bond atomRefs2="a16 a47" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a23" order="S"/>
                     <bond atomRefs2="a19 a34" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a27" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a26" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a23" order="S"/>
                     <bond atomRefs2="a22 a28" order="S"/>
                     <bond atomRefs2="a22 a24" order="S"/>
                     <bond atomRefs2="a22 a23" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a24" order="S"/>
                     <bond atomRefs2="a23 a59" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a57" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a30 a61" order="S"/>
                     <bond atomRefs2="a30 a47" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a66" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a61" order="S"/>
                     <bond atomRefs2="a33 a35" order="S"/>
                     <bond atomRefs2="a33 a34" order="S"/>
                     <bond atomRefs2="a33 a37" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a35" order="S"/>
                     <bond atomRefs2="a34 a38" order="S"/>
                     <bond atomRefs2="a34 a37" order="S"/>
                     <bond atomRefs2="a34 a36" order="S"/>
                     <bond atomRefs2="a35 a36" order="S"/>
                     <bond atomRefs2="a35 a39" order="S"/>
                     <bond atomRefs2="a35 a37" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a40" order="S"/>
                     <bond atomRefs2="a36 a39" order="S"/>
                     <bond atomRefs2="a36 a38" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a44" order="S"/>
                     <bond atomRefs2="a38 a40" order="S"/>
                     <bond atomRefs2="a38 a39" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a57" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a58" order="S"/>
                     <bond atomRefs2="a45 a67" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a68" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a47 a57" order="S"/>
                     <bond atomRefs2="a47 a61" order="S"/>
                     <bond atomRefs2="a47 a67" order="S"/>
                     <bond atomRefs2="a48 a58" order="S"/>
                     <bond atomRefs2="a48 a68" order="S"/>
                     <bond atomRefs2="a48 a62" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a61 a69" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a62 a69" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                     <bond atomRefs2="a63 a69" order="S"/>
                  </bondArray>
                  <formula concise="Br5Cu64">
                     <atomArray count="5 64" elementType="Br Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4466.463999999996</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.64">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">10.364410710831562</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">10.364412581405663</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.16843459"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.16843372"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.4184342"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.4184343"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.24343294"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.24343304"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.49343352"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.49343362"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.0478"
                           xFract="0.06668699"
                           y3="0.62304"
                           yFract="0.06945634"
                           z3="5.38421"
                           zFract="0.24979931"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="3.62397"
                           xFract="0.31511041"
                           y3="0.63386"
                           yFract="0.07066255"
                           z3="5.50985"
                           zFract="0.24827155"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="2.34743"
                           xFract="0.06633779"
                           y3="2.89163"
                           yFract="0.32235815"
                           z3="5.51015"
                           zFract="0.24819844"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.94805"
                           xFract="0.31917987"
                           y3="2.86544"
                           yFract="0.3194385"
                           z3="5.67424"
                           zFract="0.24847483"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.24857"
                           xFract="0.14606501"
                           y3="1.28382"
                           yFract="0.14311992"
                           z3="7.5430"
                           zFract="0.34701696"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="4.79837"
                           xFract="0.39334766"
                           y3="1.26928"
                           yFract="0.141499"
                           z3="7.67036"
                           zFract="0.34568874"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="3.49979"
                           xFract="0.1430043"
                           y3="3.51697"
                           yFract="0.39207089"
                           z3="7.64116"
                           zFract="0.34430515"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.09092"
                           xFract="0.39544047"
                           y3="3.48157"
                           yFract="0.38812451"
                           z3="7.93609"
                           zFract="0.35079336"/>
                     <atom elementType="Cu"
                           id="a17"
                           x3="5.1870"
                           xFract="0.16843382"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a18"
                           x3="6.47529"
                           xFract="0.16843391"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a19"
                           x3="7.77327"
                           xFract="0.4184344"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a20"
                           x3="9.06156"
                           xFract="0.41843449"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="6.34936"
                           xFract="0.24343314"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="7.63765"
                           xFract="0.24343323"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="8.93563"
                           xFract="0.49343372"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="10.22391"
                           xFract="0.49343285"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="3.64229"
                           xFract="0.06683748"
                           y3="5.13663"
                           yFract="0.57263016"
                           z3="5.71346"
                           zFract="0.25029869"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.21988"
                           xFract="0.3181725"
                           y3="5.09749"
                           yFract="0.56826685"
                           z3="5.87314"
                           zFract="0.25045524"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.92783"
                           xFract="0.07038451"
                           y3="7.31053"
                           yFract="0.81497596"
                           z3="5.85918"
                           zFract="0.24982923"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.50852"
                           xFract="0.31787713"
                           y3="7.34598"
                           yFract="0.81892792"
                           z3="5.98691"
                           zFract="0.24834583"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.78922"
                           xFract="0.14208561"
                           y3="5.77806"
                           yFract="0.64413661"
                           z3="8.00105"
                           zFract="0.35377688"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="7.41016"
                           xFract="0.39565412"
                           y3="5.77416"
                           yFract="0.64370184"
                           z3="8.03112"
                           zFract="0.34763843"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.06645"
                           xFract="0.14121373"
                           y3="8.01707"
                           yFract="0.89374086"
                           z3="8.03232"
                           zFract="0.34782639"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.67638"
                           xFract="0.391354"
                           y3="8.05574"
                           yFract="0.89805178"
                           z3="8.15527"
                           zFract="0.34602787"/>
                     <atom elementType="Cu"
                           id="a33"
                           x3="7.78295"
                           xFract="0.66843382"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a34"
                           x3="9.07124"
                           xFract="0.66843391"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a35"
                           x3="10.36922"
                           xFract="0.9184344"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a36"
                           x3="11.65751"
                           xFract="0.91843449"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a37"
                           x3="8.94531"
                           xFract="0.74343314"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a38"
                           x3="10.2336"
                           xFract="0.74343323"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a39"
                           x3="11.53158"
                           xFract="0.99343372"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a40"
                           x3="12.81986"
                           xFract="0.99343285"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a41"
                           x3="6.23158"
                           xFract="0.56815338"
                           y3="0.61622"
                           yFract="0.06869604"
                           z3="5.68549"
                           zFract="0.24905807"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="8.83342"
                           xFract="0.81832517"
                           y3="0.64024"
                           yFract="0.07137379"
                           z3="5.82821"
                           zFract="0.2482395"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="7.50293"
                           xFract="0.56582906"
                           y3="2.87115"
                           yFract="0.32007505"
                           z3="5.83418"
                           zFract="0.24863427"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.07987"
                           xFract="0.81399984"
                           y3="2.88786"
                           yFract="0.32193787"
                           z3="6.00241"
                           zFract="0.24910254"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.37543"
                           xFract="0.64390677"
                           y3="1.24319"
                           yFract="0.13859049"
                           z3="7.86269"
                           zFract="0.34736446"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="9.94954"
                           xFract="0.89042681"
                           y3="1.2847"
                           yFract="0.14321802"
                           z3="8.04344"
                           zFract="0.34838979"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="8.64586"
                           xFract="0.63945108"
                           y3="3.5349"
                           yFract="0.39406972"
                           z3="8.05299"
                           zFract="0.34884377"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.24513"
                           xFract="0.89026294"
                           y3="3.54292"
                           yFract="0.39496379"
                           z3="8.1861"
                           zFract="0.34760624"/>
                     <atom elementType="Cu"
                           id="a49"
                           x3="10.35953"
                           xFract="0.66843401"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.90692"
                           zFract="0.05000395"/>
                     <atom elementType="Cu"
                           id="a50"
                           x3="11.64782"
                           xFract="0.66843411"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.0652"
                           zFract="0.05000409"/>
                     <atom elementType="Cu"
                           id="a51"
                           x3="12.9458"
                           xFract="0.91843459"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="2.0652"
                           zFract="0.05000408"/>
                     <atom elementType="Cu"
                           id="a52"
                           x3="14.23408"
                           xFract="0.91843372"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.22348"
                           zFract="0.05000424"/>
                     <atom elementType="Cu"
                           id="a53"
                           x3="11.52189"
                           xFract="0.74343333"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.1228"
                           zFract="0.15000418"/>
                     <atom elementType="Cu"
                           id="a54"
                           x3="12.81018"
                           xFract="0.74343343"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.28107"
                           zFract="0.15000385"/>
                     <atom elementType="Cu"
                           id="a55"
                           x3="14.10815"
                           xFract="0.99343294"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.28107"
                           zFract="0.15000386"/>
                     <atom elementType="Cu"
                           id="a56"
                           x3="15.39644"
                           xFract="0.99343304"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.43935"
                           zFract="0.150004"/>
                     <atom elementType="Cu"
                           id="a57"
                           x3="8.80432"
                           xFract="0.56672119"
                           y3="5.12045"
                           yFract="0.57082642"
                           z3="6.0573"
                           zFract="0.25164253"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="11.39378"
                           xFract="0.81847671"
                           y3="5.0944"
                           yFract="0.56792237"
                           z3="6.17977"
                           zFract="0.24998853"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="10.09821"
                           xFract="0.56850817"
                           y3="7.34058"
                           yFract="0.81832593"
                           z3="6.15634"
                           zFract="0.24887083"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.67361"
                           xFract="0.8172803"
                           y3="7.34378"
                           yFract="0.81868267"
                           z3="6.3082"
                           zFract="0.24859427"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.95011"
                           xFract="0.64196018"
                           y3="5.76006"
                           yFract="0.64212998"
                           z3="8.21191"
                           zFract="0.3488571"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="12.57259"
                           xFract="0.89355794"
                           y3="5.79433"
                           yFract="0.64595039"
                           z3="8.36742"
                           zFract="0.3485649"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="11.24733"
                           xFract="0.64227651"
                           y3="8.01247"
                           yFract="0.89322805"
                           z3="8.36437"
                           zFract="0.34854061"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.85919"
                           xFract="0.8934552"
                           y3="8.0358"
                           yFract="0.89582887"
                           z3="8.44372"
                           zFract="0.34470641"/>
                     <atom elementType="Br"
                           id="a65"
                           x3="4.12378"
                           xFract="0.17122447"
                           y3="4.09498"
                           yFract="0.4565073"
                           z3="9.88002"
                           zFract="0.44710061"/>
                     <atom elementType="Br"
                           id="a66"
                           x3="6.5785"
                           xFract="0.25633525"
                           y3="6.83531"
                           yFract="0.76199856"
                           z3="10.15214"
                           zFract="0.44827118"/>
                     <atom elementType="Br"
                           id="a67"
                           x3="7.50273"
                           xFract="0.58686602"
                           y3="2.49197"
                           yFract="0.27780416"
                           z3="10.02039"
                           zFract="0.4466462"/>
                     <atom elementType="Br"
                           id="a68"
                           x3="11.23454"
                           xFract="0.98069234"
                           y3="1.89604"
                           yFract="0.21137004"
                           z3="10.15455"
                           zFract="0.44319888"/>
                     <atom elementType="Br"
                           id="a69"
                           x3="11.0796"
                           xFract="0.71392597"
                           y3="6.43024"
                           yFract="0.71684147"
                           z3="10.38764"
                           zFract="0.44706344"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a33" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a4 a33" order="S"/>
                     <bond atomRefs2="a4 a19" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a17" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a34" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a26" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a33" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a41" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a37" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a21" order="S"/>
                     <bond atomRefs2="a8 a26" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a34" order="S"/>
                     <bond atomRefs2="a8 a38" order="S"/>
                     <bond atomRefs2="a8 a37" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a23" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a25" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a26" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a29" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a16 a43" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a26" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a30" order="S"/>
                     <bond atomRefs2="a16 a47" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a23" order="S"/>
                     <bond atomRefs2="a19 a34" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a27" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a26" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a23" order="S"/>
                     <bond atomRefs2="a22 a28" order="S"/>
                     <bond atomRefs2="a22 a24" order="S"/>
                     <bond atomRefs2="a22 a23" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a24" order="S"/>
                     <bond atomRefs2="a23 a59" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a57" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a30 a61" order="S"/>
                     <bond atomRefs2="a30 a47" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a66" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a61" order="S"/>
                     <bond atomRefs2="a33 a35" order="S"/>
                     <bond atomRefs2="a33 a34" order="S"/>
                     <bond atomRefs2="a33 a37" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a35" order="S"/>
                     <bond atomRefs2="a34 a38" order="S"/>
                     <bond atomRefs2="a34 a37" order="S"/>
                     <bond atomRefs2="a34 a36" order="S"/>
                     <bond atomRefs2="a35 a36" order="S"/>
                     <bond atomRefs2="a35 a39" order="S"/>
                     <bond atomRefs2="a35 a37" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a40" order="S"/>
                     <bond atomRefs2="a36 a39" order="S"/>
                     <bond atomRefs2="a36 a38" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a44" order="S"/>
                     <bond atomRefs2="a38 a40" order="S"/>
                     <bond atomRefs2="a38 a39" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a57" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a58" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a45 a67" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a46 a68" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a57" order="S"/>
                     <bond atomRefs2="a47 a61" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a47 a67" order="S"/>
                     <bond atomRefs2="a48 a68" order="S"/>
                     <bond atomRefs2="a48 a58" order="S"/>
                     <bond atomRefs2="a48 a62" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a61 a69" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a62 a69" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                     <bond atomRefs2="a63 a69" order="S"/>
                  </bondArray>
                  <formula concise="Br5Cu64">
                     <atomArray count="5 64" elementType="Br Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4466.463999999996</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.65">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">10.364410710831562</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">10.364412581405663</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.16843459"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.16843372"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.4184342"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.4184343"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.24343294"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.24343304"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.49343352"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.49343362"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.04583"
                           xFract="0.06687195"
                           y3="0.61628"
                           yFract="0.06870273"
                           z3="5.38281"
                           zFract="0.24975028"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="3.6206"
                           xFract="0.31501067"
                           y3="0.62979"
                           yFract="0.07020882"
                           z3="5.51278"
                           zFract="0.24842622"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="2.34592"
                           xFract="0.06646893"
                           y3="2.88664"
                           yFract="0.32180187"
                           z3="5.50964"
                           zFract="0.24818708"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.94803"
                           xFract="0.31931121"
                           y3="2.86304"
                           yFract="0.31917095"
                           z3="5.67319"
                           zFract="0.24842939"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.24615"
                           xFract="0.14621036"
                           y3="1.27699"
                           yFract="0.14235851"
                           z3="7.54295"
                           zFract="0.347033"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="4.79574"
                           xFract="0.39360265"
                           y3="1.26011"
                           yFract="0.14047673"
                           z3="7.66382"
                           zFract="0.34540329"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="3.4978"
                           xFract="0.14332394"
                           y3="3.50775"
                           yFract="0.39104305"
                           z3="7.63932"
                           zFract="0.34423954"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.08998"
                           xFract="0.39586605"
                           y3="3.47227"
                           yFract="0.38708775"
                           z3="7.92954"
                           zFract="0.35050278"/>
                     <atom elementType="Cu"
                           id="a17"
                           x3="5.1870"
                           xFract="0.16843382"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a18"
                           x3="6.47529"
                           xFract="0.16843391"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a19"
                           x3="7.77327"
                           xFract="0.4184344"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a20"
                           x3="9.06156"
                           xFract="0.41843449"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="6.34936"
                           xFract="0.24343314"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="7.63765"
                           xFract="0.24343323"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="8.93563"
                           xFract="0.49343372"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="10.22391"
                           xFract="0.49343285"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="3.63943"
                           xFract="0.0667526"
                           y3="5.13318"
                           yFract="0.57224556"
                           z3="5.71591"
                           zFract="0.25042822"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.21846"
                           xFract="0.31825847"
                           y3="5.09347"
                           yFract="0.5678187"
                           z3="5.87702"
                           zFract="0.25064899"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.93018"
                           xFract="0.07085157"
                           y3="7.30621"
                           yFract="0.81449437"
                           z3="5.86247"
                           zFract="0.24998479"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.50791"
                           xFract="0.31798642"
                           y3="7.34295"
                           yFract="0.81859014"
                           z3="5.98715"
                           zFract="0.24836397"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.7898"
                           xFract="0.14275973"
                           y3="5.76693"
                           yFract="0.64289584"
                           z3="8.00292"
                           zFract="0.35388197"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="7.40549"
                           xFract="0.39558697"
                           y3="5.76724"
                           yFract="0.6429304"
                           z3="8.03554"
                           zFract="0.34787186"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.06664"
                           xFract="0.14171633"
                           y3="8.00835"
                           yFract="0.89276876"
                           z3="8.03603"
                           zFract="0.34801533"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.67193"
                           xFract="0.39139753"
                           y3="8.04721"
                           yFract="0.89710086"
                           z3="8.1578"
                           zFract="0.34617424"/>
                     <atom elementType="Cu"
                           id="a33"
                           x3="7.78295"
                           xFract="0.66843382"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a34"
                           x3="9.07124"
                           xFract="0.66843391"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a35"
                           x3="10.36922"
                           xFract="0.9184344"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a36"
                           x3="11.65751"
                           xFract="0.91843449"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a37"
                           x3="8.94531"
                           xFract="0.74343314"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a38"
                           x3="10.2336"
                           xFract="0.74343323"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a39"
                           x3="11.53158"
                           xFract="0.99343372"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a40"
                           x3="12.81986"
                           xFract="0.99343285"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a41"
                           x3="6.23229"
                           xFract="0.56859296"
                           y3="0.60954"
                           yFract="0.06795136"
                           z3="5.68166"
                           zFract="0.2488866"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="8.83255"
                           xFract="0.8184682"
                           y3="0.63615"
                           yFract="0.07091783"
                           z3="5.83025"
                           zFract="0.24834503"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="7.50333"
                           xFract="0.56610707"
                           y3="2.86684"
                           yFract="0.31959457"
                           z3="5.83355"
                           zFract="0.24861061"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.07991"
                           xFract="0.81431801"
                           y3="2.8822"
                           yFract="0.3213069"
                           z3="6.00449"
                           zFract="0.24920995"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.37739"
                           xFract="0.64455047"
                           y3="1.23501"
                           yFract="0.13767859"
                           z3="7.85927"
                           zFract="0.34721121"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="9.95153"
                           xFract="0.89120003"
                           y3="1.27424"
                           yFract="0.14205194"
                           z3="8.04408"
                           zFract="0.3484317"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="8.64817"
                           xFract="0.64005088"
                           y3="3.52812"
                           yFract="0.39331389"
                           z3="8.05377"
                           zFract="0.34888521"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.24318"
                           xFract="0.89015219"
                           y3="3.54152"
                           yFract="0.39480772"
                           z3="8.18439"
                           zFract="0.34753358"/>
                     <atom elementType="Cu"
                           id="a49"
                           x3="10.35953"
                           xFract="0.66843401"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.90692"
                           zFract="0.05000395"/>
                     <atom elementType="Cu"
                           id="a50"
                           x3="11.64782"
                           xFract="0.66843411"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.0652"
                           zFract="0.05000409"/>
                     <atom elementType="Cu"
                           id="a51"
                           x3="12.9458"
                           xFract="0.91843459"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="2.0652"
                           zFract="0.05000408"/>
                     <atom elementType="Cu"
                           id="a52"
                           x3="14.23408"
                           xFract="0.91843372"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.22348"
                           zFract="0.05000424"/>
                     <atom elementType="Cu"
                           id="a53"
                           x3="11.52189"
                           xFract="0.74343333"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.1228"
                           zFract="0.15000418"/>
                     <atom elementType="Cu"
                           id="a54"
                           x3="12.81018"
                           xFract="0.74343343"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.28107"
                           zFract="0.15000385"/>
                     <atom elementType="Cu"
                           id="a55"
                           x3="14.10815"
                           xFract="0.99343294"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.28107"
                           zFract="0.15000386"/>
                     <atom elementType="Cu"
                           id="a56"
                           x3="15.39644"
                           xFract="0.99343304"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.43935"
                           zFract="0.150004"/>
                     <atom elementType="Cu"
                           id="a57"
                           x3="8.80506"
                           xFract="0.56724641"
                           y3="5.11228"
                           yFract="0.56991563"
                           z3="6.05994"
                           zFract="0.25177851"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="11.39405"
                           xFract="0.81862609"
                           y3="5.09218"
                           yFract="0.56767489"
                           z3="6.18478"
                           zFract="0.25022767"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="10.09442"
                           xFract="0.5683867"
                           y3="7.33617"
                           yFract="0.81783431"
                           z3="6.1566"
                           zFract="0.24890139"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.6737"
                           xFract="0.81745948"
                           y3="7.34071"
                           yFract="0.81834042"
                           z3="6.3077"
                           zFract="0.24857556"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.94705"
                           xFract="0.64220415"
                           y3="5.75034"
                           yFract="0.64104639"
                           z3="8.21651"
                           zFract="0.34909905"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="12.57378"
                           xFract="0.89404947"
                           y3="5.78755"
                           yFract="0.64519455"
                           z3="8.37041"
                           zFract="0.34871376"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="11.24699"
                           xFract="0.64240524"
                           y3="8.00956"
                           yFract="0.89290365"
                           z3="8.36152"
                           zFract="0.34841207"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.86174"
                           xFract="0.89406542"
                           y3="8.02925"
                           yFract="0.89509868"
                           z3="8.44142"
                           zFract="0.34460155"/>
                     <atom elementType="Br"
                           id="a65"
                           x3="4.13343"
                           xFract="0.17016427"
                           y3="4.13087"
                           yFract="0.4605083"
                           z3="9.87336"
                           zFract="0.44669881"/>
                     <atom elementType="Br"
                           id="a66"
                           x3="6.61669"
                           xFract="0.25909061"
                           y3="6.85217"
                           yFract="0.76387811"
                           z3="10.15856"
                           zFract="0.44843553"/>
                     <atom elementType="Br"
                           id="a67"
                           x3="7.49235"
                           xFract="0.58665007"
                           y3="2.47779"
                           yFract="0.27622338"
                           z3="10.02227"
                           zFract="0.44678848"/>
                     <atom elementType="Br"
                           id="a68"
                           x3="11.23627"
                           xFract="0.98004604"
                           y3="1.91069"
                           yFract="0.21300322"
                           z3="10.1583"
                           zFract="0.44334623"/>
                     <atom elementType="Br"
                           id="a69"
                           x3="11.07599"
                           xFract="0.71263631"
                           y3="6.44718"
                           yFract="0.71872993"
                           z3="10.38563"
                           zFract="0.4469508"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a33" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a4 a33" order="S"/>
                     <bond atomRefs2="a4 a19" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a17" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a34" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a26" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a33" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a41" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a37" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a21" order="S"/>
                     <bond atomRefs2="a8 a26" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a34" order="S"/>
                     <bond atomRefs2="a8 a38" order="S"/>
                     <bond atomRefs2="a8 a37" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a23" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a25" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a26" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a29" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a16 a43" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a26" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a30" order="S"/>
                     <bond atomRefs2="a16 a47" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a23" order="S"/>
                     <bond atomRefs2="a19 a34" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a27" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a26" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a23" order="S"/>
                     <bond atomRefs2="a22 a28" order="S"/>
                     <bond atomRefs2="a22 a24" order="S"/>
                     <bond atomRefs2="a22 a23" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a24" order="S"/>
                     <bond atomRefs2="a23 a59" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a57" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a30 a61" order="S"/>
                     <bond atomRefs2="a30 a47" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a66" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a61" order="S"/>
                     <bond atomRefs2="a33 a35" order="S"/>
                     <bond atomRefs2="a33 a34" order="S"/>
                     <bond atomRefs2="a33 a37" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a35" order="S"/>
                     <bond atomRefs2="a34 a38" order="S"/>
                     <bond atomRefs2="a34 a37" order="S"/>
                     <bond atomRefs2="a34 a36" order="S"/>
                     <bond atomRefs2="a35 a36" order="S"/>
                     <bond atomRefs2="a35 a39" order="S"/>
                     <bond atomRefs2="a35 a37" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a40" order="S"/>
                     <bond atomRefs2="a36 a39" order="S"/>
                     <bond atomRefs2="a36 a38" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a44" order="S"/>
                     <bond atomRefs2="a38 a40" order="S"/>
                     <bond atomRefs2="a38 a39" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a57" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a58" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a45 a67" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a46 a68" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a57" order="S"/>
                     <bond atomRefs2="a47 a61" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a47 a67" order="S"/>
                     <bond atomRefs2="a48 a68" order="S"/>
                     <bond atomRefs2="a48 a58" order="S"/>
                     <bond atomRefs2="a48 a62" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a61 a69" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a62 a69" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                     <bond atomRefs2="a63 a69" order="S"/>
                  </bondArray>
                  <formula concise="Br5Cu64">
                     <atomArray count="5 64" elementType="Br Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4466.463999999996</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.66">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">10.364410710831562</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">10.364412581405663</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.16843459"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.16843372"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.4184342"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.4184343"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.24343294"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.24343304"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.49343352"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.49343362"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.03994"
                           xFract="0.06743044"
                           y3="0.59597"
                           yFract="0.06643858"
                           z3="5.37862"
                           zFract="0.24960363"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="3.61051"
                           xFract="0.31471224"
                           y3="0.6176"
                           yFract="0.06884989"
                           z3="5.52158"
                           zFract="0.24889061"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="2.34137"
                           xFract="0.06685929"
                           y3="2.87169"
                           yFract="0.32013525"
                           z3="5.50811"
                           zFract="0.24815304"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.94798"
                           xFract="0.3197062"
                           y3="2.85584"
                           yFract="0.31836829"
                           z3="5.67004"
                           zFract="0.24829304"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.23889"
                           xFract="0.14664641"
                           y3="1.2565"
                           yFract="0.14007429"
                           z3="7.5428"
                           zFract="0.34708109"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="4.78786"
                           xFract="0.3943686"
                           y3="1.2326"
                           yFract="0.13740992"
                           z3="7.64419"
                           zFract="0.34454642"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="3.49185"
                           xFract="0.14428477"
                           y3="3.48009"
                           yFract="0.38795952"
                           z3="7.63381"
                           zFract="0.34404311"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.08717"
                           xFract="0.39714263"
                           y3="3.44439"
                           yFract="0.38397969"
                           z3="7.90987"
                           zFract="0.34963002"/>
                     <atom elementType="Cu"
                           id="a17"
                           x3="5.1870"
                           xFract="0.16843382"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a18"
                           x3="6.47529"
                           xFract="0.16843391"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a19"
                           x3="7.77327"
                           xFract="0.4184344"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a20"
                           x3="9.06156"
                           xFract="0.41843449"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="6.34936"
                           xFract="0.24343314"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="7.63765"
                           xFract="0.24343323"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="8.93563"
                           xFract="0.49343372"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="10.22391"
                           xFract="0.49343285"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="3.63082"
                           xFract="0.06649451"
                           y3="5.12284"
                           yFract="0.57109286"
                           z3="5.72326"
                           zFract="0.25081688"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.2142"
                           xFract="0.31851527"
                           y3="5.08143"
                           yFract="0.56647648"
                           z3="5.88865"
                           zFract="0.25122974"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.93724"
                           xFract="0.07225426"
                           y3="7.29324"
                           yFract="0.81304848"
                           z3="5.87236"
                           zFract="0.25045239"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.50609"
                           xFract="0.31831416"
                           y3="7.33388"
                           yFract="0.81757902"
                           z3="5.98788"
                           zFract="0.24841879"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.79153"
                           xFract="0.14478115"
                           y3="5.73354"
                           yFract="0.63917353"
                           z3="8.00851"
                           zFract="0.35419631"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="7.39145"
                           xFract="0.39538207"
                           y3="5.74649"
                           yFract="0.6406172"
                           z3="8.04879"
                           zFract="0.34857176"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.06722"
                           xFract="0.1432262"
                           y3="7.98217"
                           yFract="0.88985022"
                           z3="8.04717"
                           zFract="0.34858263"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.65857"
                           xFract="0.39152602"
                           y3="8.02164"
                           yFract="0.89425032"
                           z3="8.16539"
                           zFract="0.34661336"/>
                     <atom elementType="Cu"
                           id="a33"
                           x3="7.78295"
                           xFract="0.66843382"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a34"
                           x3="9.07124"
                           xFract="0.66843391"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a35"
                           x3="10.36922"
                           xFract="0.9184344"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a36"
                           x3="11.65751"
                           xFract="0.91843449"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a37"
                           x3="8.94531"
                           xFract="0.74343314"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a38"
                           x3="10.2336"
                           xFract="0.74343323"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a39"
                           x3="11.53158"
                           xFract="0.99343372"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a40"
                           x3="12.81986"
                           xFract="0.99343285"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a41"
                           x3="6.23441"
                           xFract="0.5699124"
                           y3="0.58947"
                           yFract="0.06571396"
                           z3="5.67016"
                           zFract="0.24837178"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="8.82996"
                           xFract="0.81890087"
                           y3="0.62385"
                           yFract="0.06954663"
                           z3="5.83638"
                           zFract="0.24866207"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="7.50451"
                           xFract="0.5669397"
                           y3="2.8539"
                           yFract="0.31815202"
                           z3="5.83166"
                           zFract="0.2485397"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.0800"
                           xFract="0.81526852"
                           y3="2.86524"
                           yFract="0.3194162"
                           z3="6.01072"
                           zFract="0.24953176"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.38327"
                           xFract="0.64648159"
                           y3="1.21047"
                           yFract="0.13494288"
                           z3="7.84902"
                           zFract="0.34675195"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="9.95749"
                           xFract="0.89351927"
                           y3="1.24285"
                           yFract="0.13855259"
                           z3="8.04598"
                           zFract="0.34855651"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="8.65512"
                           xFract="0.6418522"
                           y3="3.50778"
                           yFract="0.39104639"
                           z3="8.05609"
                           zFract="0.34900851"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.23735"
                           xFract="0.88982297"
                           y3="3.5373"
                           yFract="0.39433728"
                           z3="8.17927"
                           zFract="0.34731604"/>
                     <atom elementType="Cu"
                           id="a49"
                           x3="10.35953"
                           xFract="0.66843401"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.90692"
                           zFract="0.05000395"/>
                     <atom elementType="Cu"
                           id="a50"
                           x3="11.64782"
                           xFract="0.66843411"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.0652"
                           zFract="0.05000409"/>
                     <atom elementType="Cu"
                           id="a51"
                           x3="12.9458"
                           xFract="0.91843459"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="2.0652"
                           zFract="0.05000408"/>
                     <atom elementType="Cu"
                           id="a52"
                           x3="14.23408"
                           xFract="0.91843372"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.22348"
                           zFract="0.05000424"/>
                     <atom elementType="Cu"
                           id="a53"
                           x3="11.52189"
                           xFract="0.74343333"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.1228"
                           zFract="0.15000418"/>
                     <atom elementType="Cu"
                           id="a54"
                           x3="12.81018"
                           xFract="0.74343343"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.28107"
                           zFract="0.15000385"/>
                     <atom elementType="Cu"
                           id="a55"
                           x3="14.10815"
                           xFract="0.99343294"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.28107"
                           zFract="0.15000386"/>
                     <atom elementType="Cu"
                           id="a56"
                           x3="15.39644"
                           xFract="0.99343304"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.43935"
                           zFract="0.150004"/>
                     <atom elementType="Cu"
                           id="a57"
                           x3="8.80727"
                           xFract="0.5688211"
                           y3="5.08777"
                           yFract="0.56718326"
                           z3="6.06786"
                           zFract="0.25218649"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="11.39486"
                           xFract="0.81907311"
                           y3="5.08554"
                           yFract="0.56693466"
                           z3="6.19984"
                           zFract="0.2509465"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="10.08304"
                           xFract="0.56802133"
                           y3="7.32294"
                           yFract="0.81635943"
                           z3="6.15736"
                           zFract="0.24899215"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.67396"
                           xFract="0.81799717"
                           y3="7.33148"
                           yFract="0.81731147"
                           z3="6.30621"
                           zFract="0.24851998"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.93786"
                           xFract="0.64293509"
                           y3="5.72118"
                           yFract="0.63779564"
                           z3="8.23032"
                           zFract="0.3498254"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="12.57735"
                           xFract="0.89552295"
                           y3="5.76723"
                           yFract="0.64292929"
                           z3="8.37939"
                           zFract="0.3491608"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="11.24598"
                           xFract="0.64279295"
                           y3="8.00082"
                           yFract="0.89192931"
                           z3="8.35299"
                           zFract="0.3480274"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.86938"
                           xFract="0.89589568"
                           y3="8.00959"
                           yFract="0.89290699"
                           z3="8.43452"
                           zFract="0.344287"/>
                     <atom elementType="Br"
                           id="a65"
                           x3="4.16239"
                           xFract="0.16698464"
                           y3="4.23854"
                           yFract="0.47251133"
                           z3="9.85337"
                           zFract="0.4454929"/>
                     <atom elementType="Br"
                           id="a66"
                           x3="6.73124"
                           xFract="0.26735533"
                           y3="6.90274"
                           yFract="0.76951564"
                           z3="10.17783"
                           zFract="0.44892911"/>
                     <atom elementType="Br"
                           id="a67"
                           x3="7.46121"
                           xFract="0.58600223"
                           y3="2.43525"
                           yFract="0.27148103"
                           z3="10.02791"
                           zFract="0.4472153"/>
                     <atom elementType="Br"
                           id="a68"
                           x3="11.24145"
                           xFract="0.97810673"
                           y3="1.95463"
                           yFract="0.21790164"
                           z3="10.16955"
                           zFract="0.44378833"/>
                     <atom elementType="Br"
                           id="a69"
                           x3="11.06516"
                           xFract="0.70876734"
                           y3="6.4980"
                           yFract="0.72439533"
                           z3="10.37962"
                           zFract="0.4466138"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a33" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a4 a33" order="S"/>
                     <bond atomRefs2="a4 a19" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a17" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a34" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a26" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a33" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a41" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a37" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a21" order="S"/>
                     <bond atomRefs2="a8 a26" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a34" order="S"/>
                     <bond atomRefs2="a8 a38" order="S"/>
                     <bond atomRefs2="a8 a37" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a23" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a25" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a26" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a29" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a16 a43" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a26" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a30" order="S"/>
                     <bond atomRefs2="a16 a47" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a23" order="S"/>
                     <bond atomRefs2="a19 a34" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a27" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a26" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a23" order="S"/>
                     <bond atomRefs2="a22 a28" order="S"/>
                     <bond atomRefs2="a22 a24" order="S"/>
                     <bond atomRefs2="a22 a23" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a24" order="S"/>
                     <bond atomRefs2="a23 a59" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a57" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a30 a61" order="S"/>
                     <bond atomRefs2="a30 a47" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a66" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a61" order="S"/>
                     <bond atomRefs2="a33 a35" order="S"/>
                     <bond atomRefs2="a33 a34" order="S"/>
                     <bond atomRefs2="a33 a37" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a35" order="S"/>
                     <bond atomRefs2="a34 a38" order="S"/>
                     <bond atomRefs2="a34 a37" order="S"/>
                     <bond atomRefs2="a34 a36" order="S"/>
                     <bond atomRefs2="a35 a36" order="S"/>
                     <bond atomRefs2="a35 a39" order="S"/>
                     <bond atomRefs2="a35 a37" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a40" order="S"/>
                     <bond atomRefs2="a36 a39" order="S"/>
                     <bond atomRefs2="a36 a38" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a44" order="S"/>
                     <bond atomRefs2="a38 a40" order="S"/>
                     <bond atomRefs2="a38 a39" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a57" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a58" order="S"/>
                     <bond atomRefs2="a45 a67" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a68" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a47 a57" order="S"/>
                     <bond atomRefs2="a47 a61" order="S"/>
                     <bond atomRefs2="a47 a67" order="S"/>
                     <bond atomRefs2="a48 a58" order="S"/>
                     <bond atomRefs2="a48 a68" order="S"/>
                     <bond atomRefs2="a48 a62" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a61 a69" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a62 a69" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                     <bond atomRefs2="a63 a69" order="S"/>
                  </bondArray>
                  <formula concise="Br5Cu64">
                     <atomArray count="5 64" elementType="Br Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4466.463999999996</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.67">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">10.364410710831562</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">10.364412581405663</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.16843459"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.16843372"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.4184342"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.4184343"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.24343294"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.24343304"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.49343352"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.49343362"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.03922"
                           xFract="0.06777677"
                           y3="0.58848"
                           yFract="0.0656036"
                           z3="5.37565"
                           zFract="0.24947819"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="3.60754"
                           xFract="0.31480665"
                           y3="0.61073"
                           yFract="0.06808402"
                           z3="5.52453"
                           zFract="0.24904974"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="2.33876"
                           xFract="0.06719285"
                           y3="2.86114"
                           yFract="0.31895914"
                           z3="5.50856"
                           zFract="0.24819941"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.94558"
                           xFract="0.31959748"
                           y3="2.85362"
                           yFract="0.31812081"
                           z3="5.66719"
                           zFract="0.2481693"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.23867"
                           xFract="0.14707495"
                           y3="1.2484"
                           yFract="0.1391713"
                           z3="7.54579"
                           zFract="0.34723623"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="4.78976"
                           xFract="0.39499151"
                           y3="1.22469"
                           yFract="0.13652812"
                           z3="7.6352"
                           zFract="0.34413028"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="3.48875"
                           xFract="0.14478476"
                           y3="3.46569"
                           yFract="0.38635421"
                           z3="7.64297"
                           zFract="0.34450799"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.08417"
                           xFract="0.39705921"
                           y3="3.44067"
                           yFract="0.38356499"
                           z3="7.90821"
                           zFract="0.34956662"/>
                     <atom elementType="Cu"
                           id="a17"
                           x3="5.1870"
                           xFract="0.16843382"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a18"
                           x3="6.47529"
                           xFract="0.16843391"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a19"
                           x3="7.77327"
                           xFract="0.4184344"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a20"
                           x3="9.06156"
                           xFract="0.41843449"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="6.34936"
                           xFract="0.24343314"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="7.63765"
                           xFract="0.24343323"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="8.93563"
                           xFract="0.49343372"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="10.22391"
                           xFract="0.49343285"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="3.62719"
                           xFract="0.06650013"
                           y3="5.11642"
                           yFract="0.57037716"
                           z3="5.71834"
                           zFract="0.2506061"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.21406"
                           xFract="0.31882771"
                           y3="5.07556"
                           yFract="0.5658221"
                           z3="5.89252"
                           zFract="0.25142242"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.94095"
                           xFract="0.07268952"
                           y3="7.29186"
                           yFract="0.81289464"
                           z3="5.87463"
                           zFract="0.25055102"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.50575"
                           xFract="0.31866223"
                           y3="7.32702"
                           yFract="0.81681427"
                           z3="5.98963"
                           zFract="0.24851374"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.79236"
                           xFract="0.14444878"
                           y3="5.74097"
                           yFract="0.64000183"
                           z3="7.98458"
                           zFract="0.35305321"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="7.38734"
                           xFract="0.39527632"
                           y3="5.74124"
                           yFract="0.64003193"
                           z3="8.05595"
                           zFract="0.34892998"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.06411"
                           xFract="0.14311049"
                           y3="7.97884"
                           yFract="0.88947899"
                           z3="8.0484"
                           zFract="0.34865516"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.65554"
                           xFract="0.39223102"
                           y3="8.00367"
                           yFract="0.89224703"
                           z3="8.16682"
                           zFract="0.34671954"/>
                     <atom elementType="Cu"
                           id="a33"
                           x3="7.78295"
                           xFract="0.66843382"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a34"
                           x3="9.07124"
                           xFract="0.66843391"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a35"
                           x3="10.36922"
                           xFract="0.9184344"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a36"
                           x3="11.65751"
                           xFract="0.91843449"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a37"
                           x3="8.94531"
                           xFract="0.74343314"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a38"
                           x3="10.2336"
                           xFract="0.74343323"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a39"
                           x3="11.53158"
                           xFract="0.99343372"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a40"
                           x3="12.81986"
                           xFract="0.99343285"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a41"
                           x3="6.23791"
                           xFract="0.57073052"
                           y3="0.58083"
                           yFract="0.06475078"
                           z3="5.67559"
                           zFract="0.24863213"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="8.82717"
                           xFract="0.81880887"
                           y3="0.62065"
                           yFract="0.0691899"
                           z3="5.84291"
                           zFract="0.24898335"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="7.50361"
                           xFract="0.56711426"
                           y3="2.84919"
                           yFract="0.31762695"
                           z3="5.83655"
                           zFract="0.24878072"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.08493"
                           xFract="0.81644532"
                           y3="2.85263"
                           yFract="0.31801044"
                           z3="6.00961"
                           zFract="0.24948626"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.38278"
                           xFract="0.64676964"
                           y3="1.20443"
                           yFract="0.13426954"
                           z3="7.85263"
                           zFract="0.34693366"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="9.96059"
                           xFract="0.89437591"
                           y3="1.23282"
                           yFract="0.13743445"
                           z3="8.04741"
                           zFract="0.34863174"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="8.65764"
                           xFract="0.64252338"
                           y3="3.50008"
                           yFract="0.390188"
                           z3="8.05621"
                           zFract="0.34901976"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.24049"
                           xFract="0.89063239"
                           y3="3.52819"
                           yFract="0.39332169"
                           z3="8.18027"
                           zFract="0.34736935"/>
                     <atom elementType="Cu"
                           id="a49"
                           x3="10.35953"
                           xFract="0.66843401"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.90692"
                           zFract="0.05000395"/>
                     <atom elementType="Cu"
                           id="a50"
                           x3="11.64782"
                           xFract="0.66843411"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.0652"
                           zFract="0.05000409"/>
                     <atom elementType="Cu"
                           id="a51"
                           x3="12.9458"
                           xFract="0.91843459"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="2.0652"
                           zFract="0.05000408"/>
                     <atom elementType="Cu"
                           id="a52"
                           x3="14.23408"
                           xFract="0.91843372"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.22348"
                           zFract="0.05000424"/>
                     <atom elementType="Cu"
                           id="a53"
                           x3="11.52189"
                           xFract="0.74343333"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.1228"
                           zFract="0.15000418"/>
                     <atom elementType="Cu"
                           id="a54"
                           x3="12.81018"
                           xFract="0.74343343"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.28107"
                           zFract="0.15000385"/>
                     <atom elementType="Cu"
                           id="a55"
                           x3="14.10815"
                           xFract="0.99343294"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.28107"
                           zFract="0.15000386"/>
                     <atom elementType="Cu"
                           id="a56"
                           x3="15.39644"
                           xFract="0.99343304"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.43935"
                           zFract="0.150004"/>
                     <atom elementType="Cu"
                           id="a57"
                           x3="8.80429"
                           xFract="0.56881792"
                           y3="5.08264"
                           yFract="0.56661137"
                           z3="6.06349"
                           zFract="0.25199762"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="11.39534"
                           xFract="0.81912784"
                           y3="5.08539"
                           yFract="0.56691794"
                           z3="6.1977"
                           zFract="0.25084446"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="10.0795"
                           xFract="0.56784685"
                           y3="7.31992"
                           yFract="0.81602276"
                           z3="6.15858"
                           zFract="0.24906493"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.67205"
                           xFract="0.81803355"
                           y3="7.3275"
                           yFract="0.81686778"
                           z3="6.3064"
                           zFract="0.24854109"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.93842"
                           xFract="0.64285817"
                           y3="5.72354"
                           yFract="0.63805874"
                           z3="8.23491"
                           zFract="0.35003626"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="12.57613"
                           xFract="0.89570489"
                           y3="5.76183"
                           yFract="0.6423273"
                           z3="8.38487"
                           zFract="0.34943172"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="11.24495"
                           xFract="0.64257511"
                           y3="8.00295"
                           yFract="0.89216676"
                           z3="8.35233"
                           zFract="0.34799569"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.86494"
                           xFract="0.8962778"
                           y3="7.99498"
                           yFract="0.89127827"
                           z3="8.4320"
                           zFract="0.3442054"/>
                     <atom elementType="Br"
                           id="a65"
                           x3="4.1626"
                           xFract="0.16527792"
                           y3="4.26964"
                           yFract="0.47597835"
                           z3="9.86125"
                           zFract="0.4458119"/>
                     <atom elementType="Br"
                           id="a66"
                           x3="6.78783"
                           xFract="0.27142397"
                           y3="6.92798"
                           yFract="0.77232939"
                           z3="10.17729"
                           zFract="0.4486982"/>
                     <atom elementType="Br"
                           id="a67"
                           x3="7.44947"
                           xFract="0.58560817"
                           y3="2.42191"
                           yFract="0.26999389"
                           z3="10.0205"
                           zFract="0.44692208"/>
                     <atom elementType="Br"
                           id="a68"
                           x3="11.24236"
                           xFract="0.97729342"
                           y3="1.97086"
                           yFract="0.21971096"
                           z3="10.17126"
                           zFract="0.44383922"/>
                     <atom elementType="Br"
                           id="a69"
                           x3="11.06129"
                           xFract="0.70761193"
                           y3="6.51207"
                           yFract="0.72596385"
                           z3="10.37253"
                           zFract="0.44626718"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a33" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a4 a33" order="S"/>
                     <bond atomRefs2="a4 a19" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a17" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a34" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a26" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a33" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a41" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a37" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a21" order="S"/>
                     <bond atomRefs2="a8 a26" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a34" order="S"/>
                     <bond atomRefs2="a8 a38" order="S"/>
                     <bond atomRefs2="a8 a37" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a23" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a25" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a26" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a29" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a16 a43" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a26" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a30" order="S"/>
                     <bond atomRefs2="a16 a47" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a23" order="S"/>
                     <bond atomRefs2="a19 a34" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a27" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a26" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a23" order="S"/>
                     <bond atomRefs2="a22 a28" order="S"/>
                     <bond atomRefs2="a22 a24" order="S"/>
                     <bond atomRefs2="a22 a23" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a24" order="S"/>
                     <bond atomRefs2="a23 a59" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a57" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a30 a61" order="S"/>
                     <bond atomRefs2="a30 a47" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a66" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a61" order="S"/>
                     <bond atomRefs2="a33 a35" order="S"/>
                     <bond atomRefs2="a33 a34" order="S"/>
                     <bond atomRefs2="a33 a37" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a35" order="S"/>
                     <bond atomRefs2="a34 a38" order="S"/>
                     <bond atomRefs2="a34 a37" order="S"/>
                     <bond atomRefs2="a34 a36" order="S"/>
                     <bond atomRefs2="a35 a36" order="S"/>
                     <bond atomRefs2="a35 a39" order="S"/>
                     <bond atomRefs2="a35 a37" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a40" order="S"/>
                     <bond atomRefs2="a36 a39" order="S"/>
                     <bond atomRefs2="a36 a38" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a44" order="S"/>
                     <bond atomRefs2="a38 a40" order="S"/>
                     <bond atomRefs2="a38 a39" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a57" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a58" order="S"/>
                     <bond atomRefs2="a45 a67" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a68" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a47 a57" order="S"/>
                     <bond atomRefs2="a47 a61" order="S"/>
                     <bond atomRefs2="a47 a67" order="S"/>
                     <bond atomRefs2="a48 a58" order="S"/>
                     <bond atomRefs2="a48 a68" order="S"/>
                     <bond atomRefs2="a48 a62" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a61 a69" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a62 a69" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                     <bond atomRefs2="a63 a69" order="S"/>
                  </bondArray>
                  <formula concise="Br5Cu64">
                     <atomArray count="5 64" elementType="Br Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4466.463999999996</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.68">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">10.364410710831562</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">10.364412581405663</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.16843459"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.16843372"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.4184342"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.4184343"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.24343294"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.24343304"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.49343352"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.49343362"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.03801"
                           xFract="0.06836727"
                           y3="0.57574"
                           yFract="0.06418334"
                           z3="5.37062"
                           zFract="0.24926579"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="3.6025"
                           xFract="0.31496695"
                           y3="0.59907"
                           yFract="0.06678417"
                           z3="5.52954"
                           zFract="0.24931998"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="2.33432"
                           xFract="0.06775878"
                           y3="2.84322"
                           yFract="0.31696142"
                           z3="5.50934"
                           zFract="0.24827893"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.9415"
                           xFract="0.319413"
                           y3="2.84984"
                           yFract="0.31769941"
                           z3="5.66235"
                           zFract="0.24795918"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.2383"
                           xFract="0.14780384"
                           y3="1.23463"
                           yFract="0.13763623"
                           z3="7.55085"
                           zFract="0.34749887"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="4.7930"
                           xFract="0.39605104"
                           y3="1.21125"
                           yFract="0.13502983"
                           z3="7.61993"
                           zFract="0.3434234"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="3.48349"
                           xFract="0.14563515"
                           y3="3.44122"
                           yFract="0.3836263"
                           z3="7.65855"
                           zFract="0.34529863"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.07909"
                           xFract="0.39691856"
                           y3="3.43436"
                           yFract="0.38286155"
                           z3="7.90538"
                           zFract="0.34945838"/>
                     <atom elementType="Cu"
                           id="a17"
                           x3="5.1870"
                           xFract="0.16843382"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a18"
                           x3="6.47529"
                           xFract="0.16843391"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a19"
                           x3="7.77327"
                           xFract="0.4184344"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a20"
                           x3="9.06156"
                           xFract="0.41843449"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="6.34936"
                           xFract="0.24343314"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="7.63765"
                           xFract="0.24343323"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="8.93563"
                           xFract="0.49343372"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="10.22391"
                           xFract="0.49343285"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="3.6210"
                           xFract="0.06650651"
                           y3="5.10553"
                           yFract="0.56916314"
                           z3="5.70999"
                           zFract="0.25024845"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.21383"
                           xFract="0.31935856"
                           y3="5.0656"
                           yFract="0.56471176"
                           z3="5.89909"
                           zFract="0.25174949"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.94725"
                           xFract="0.073429"
                           y3="7.28951"
                           yFract="0.81263266"
                           z3="5.87849"
                           zFract="0.25071876"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.50518"
                           xFract="0.31925463"
                           y3="7.31536"
                           yFract="0.81551441"
                           z3="5.99259"
                           zFract="0.24867442"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.79377"
                           xFract="0.14388428"
                           y3="5.75359"
                           yFract="0.6414087"
                           z3="7.9439"
                           zFract="0.35111002"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="7.38036"
                           xFract="0.39509749"
                           y3="5.73231"
                           yFract="0.63903641"
                           z3="8.06811"
                           zFract="0.34953837"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.05883"
                           xFract="0.14291552"
                           y3="7.97316"
                           yFract="0.88884578"
                           z3="8.05048"
                           zFract="0.34877795"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.65038"
                           xFract="0.39342815"
                           y3="7.97313"
                           yFract="0.88884244"
                           z3="8.16924"
                           zFract="0.34689954"/>
                     <atom elementType="Cu"
                           id="a33"
                           x3="7.78295"
                           xFract="0.66843382"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a34"
                           x3="9.07124"
                           xFract="0.66843391"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a35"
                           x3="10.36922"
                           xFract="0.9184344"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a36"
                           x3="11.65751"
                           xFract="0.91843449"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a37"
                           x3="8.94531"
                           xFract="0.74343314"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a38"
                           x3="10.2336"
                           xFract="0.74343323"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a39"
                           x3="11.53158"
                           xFract="0.99343372"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a40"
                           x3="12.81986"
                           xFract="0.99343285"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a41"
                           x3="6.24385"
                           xFract="0.57211934"
                           y3="0.56616"
                           yFract="0.06311537"
                           z3="5.68482"
                           zFract="0.24907468"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="8.82242"
                           xFract="0.81865125"
                           y3="0.61522"
                           yFract="0.06858456"
                           z3="5.85401"
                           zFract="0.24952949"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="7.50208"
                           xFract="0.56741006"
                           y3="2.8412"
                           yFract="0.31673623"
                           z3="5.84485"
                           zFract="0.24918982"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.0933"
                           xFract="0.81844444"
                           y3="2.8312"
                           yFract="0.31562143"
                           z3="6.00772"
                           zFract="0.24940878"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.38194"
                           xFract="0.64725763"
                           y3="1.19418"
                           yFract="0.13312687"
                           z3="7.85877"
                           zFract="0.3472427"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="9.96584"
                           xFract="0.89582965"
                           y3="1.21578"
                           yFract="0.13553484"
                           z3="8.04984"
                           zFract="0.34875962"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="8.66193"
                           xFract="0.64366553"
                           y3="3.48698"
                           yFract="0.38872761"
                           z3="8.05642"
                           zFract="0.34903916"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.24583"
                           xFract="0.89200876"
                           y3="3.5127"
                           yFract="0.39159487"
                           z3="8.18197"
                           zFract="0.34745996"/>
                     <atom elementType="Cu"
                           id="a49"
                           x3="10.35953"
                           xFract="0.66843401"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.90692"
                           zFract="0.05000395"/>
                     <atom elementType="Cu"
                           id="a50"
                           x3="11.64782"
                           xFract="0.66843411"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.0652"
                           zFract="0.05000409"/>
                     <atom elementType="Cu"
                           id="a51"
                           x3="12.9458"
                           xFract="0.91843459"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="2.0652"
                           zFract="0.05000408"/>
                     <atom elementType="Cu"
                           id="a52"
                           x3="14.23408"
                           xFract="0.91843372"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.22348"
                           zFract="0.05000424"/>
                     <atom elementType="Cu"
                           id="a53"
                           x3="11.52189"
                           xFract="0.74343333"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.1228"
                           zFract="0.15000418"/>
                     <atom elementType="Cu"
                           id="a54"
                           x3="12.81018"
                           xFract="0.74343343"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.28107"
                           zFract="0.15000385"/>
                     <atom elementType="Cu"
                           id="a55"
                           x3="14.10815"
                           xFract="0.99343294"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.28107"
                           zFract="0.15000386"/>
                     <atom elementType="Cu"
                           id="a56"
                           x3="15.39644"
                           xFract="0.99343304"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.43935"
                           zFract="0.150004"/>
                     <atom elementType="Cu"
                           id="a57"
                           x3="8.79921"
                           xFract="0.56881054"
                           y3="5.07393"
                           yFract="0.56564038"
                           z3="6.05605"
                           zFract="0.25167603"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="11.39617"
                           xFract="0.81922251"
                           y3="5.08513"
                           yFract="0.56688896"
                           z3="6.19406"
                           zFract="0.25067088"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="10.0735"
                           xFract="0.56755229"
                           y3="7.31478"
                           yFract="0.81544975"
                           z3="6.16064"
                           zFract="0.24918796"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.6688"
                           xFract="0.81809478"
                           y3="7.32074"
                           yFract="0.81611417"
                           z3="6.30672"
                           zFract="0.24857685"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.93938"
                           xFract="0.64272774"
                           y3="5.72756"
                           yFract="0.63850688"
                           z3="8.24272"
                           zFract="0.35039502"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="12.57406"
                           xFract="0.89601457"
                           y3="5.75265"
                           yFract="0.64130391"
                           z3="8.39419"
                           zFract="0.34989246"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="11.2432"
                           xFract="0.64220492"
                           y3="8.00657"
                           yFract="0.89257032"
                           z3="8.35121"
                           zFract="0.34794189"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.85741"
                           xFract="0.89692931"
                           y3="7.97014"
                           yFract="0.88850911"
                           z3="8.4277"
                           zFract="0.34406587"/>
                     <atom elementType="Br"
                           id="a65"
                           x3="4.16296"
                           xFract="0.1623779"
                           y3="4.32249"
                           yFract="0.48187005"
                           z3="9.87465"
                           zFract="0.4463544"/>
                     <atom elementType="Br"
                           id="a66"
                           x3="6.8840"
                           xFract="0.27833847"
                           y3="6.97087"
                           yFract="0.77711076"
                           z3="10.17637"
                           zFract="0.44830569"/>
                     <atom elementType="Br"
                           id="a67"
                           x3="7.42952"
                           xFract="0.58493916"
                           y3="2.39923"
                           yFract="0.26746553"
                           z3="10.00791"
                           zFract="0.44642391"/>
                     <atom elementType="Br"
                           id="a68"
                           x3="11.2439"
                           xFract="0.97591018"
                           y3="1.99845"
                           yFract="0.22278668"
                           z3="10.17417"
                           zFract="0.44392591"/>
                     <atom elementType="Br"
                           id="a69"
                           x3="11.05472"
                           xFract="0.70564854"
                           y3="6.53599"
                           yFract="0.72863045"
                           z3="10.36047"
                           zFract="0.44567757"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a33" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a4 a33" order="S"/>
                     <bond atomRefs2="a4 a19" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a17" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a34" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a26" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a33" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a41" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a37" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a21" order="S"/>
                     <bond atomRefs2="a8 a26" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a34" order="S"/>
                     <bond atomRefs2="a8 a38" order="S"/>
                     <bond atomRefs2="a8 a37" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a23" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a25" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a26" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a29" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a16 a43" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a26" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a30" order="S"/>
                     <bond atomRefs2="a16 a47" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a23" order="S"/>
                     <bond atomRefs2="a19 a34" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a27" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a26" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a23" order="S"/>
                     <bond atomRefs2="a22 a28" order="S"/>
                     <bond atomRefs2="a22 a24" order="S"/>
                     <bond atomRefs2="a22 a23" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a24" order="S"/>
                     <bond atomRefs2="a23 a59" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a57" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a30 a61" order="S"/>
                     <bond atomRefs2="a30 a47" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a66" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a61" order="S"/>
                     <bond atomRefs2="a33 a35" order="S"/>
                     <bond atomRefs2="a33 a34" order="S"/>
                     <bond atomRefs2="a33 a37" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a35" order="S"/>
                     <bond atomRefs2="a34 a38" order="S"/>
                     <bond atomRefs2="a34 a37" order="S"/>
                     <bond atomRefs2="a34 a36" order="S"/>
                     <bond atomRefs2="a35 a36" order="S"/>
                     <bond atomRefs2="a35 a39" order="S"/>
                     <bond atomRefs2="a35 a37" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a40" order="S"/>
                     <bond atomRefs2="a36 a39" order="S"/>
                     <bond atomRefs2="a36 a38" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a44" order="S"/>
                     <bond atomRefs2="a38 a40" order="S"/>
                     <bond atomRefs2="a38 a39" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a57" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a58" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a45 a67" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a46 a68" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a57" order="S"/>
                     <bond atomRefs2="a47 a61" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a47 a67" order="S"/>
                     <bond atomRefs2="a48 a68" order="S"/>
                     <bond atomRefs2="a48 a58" order="S"/>
                     <bond atomRefs2="a48 a62" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a61 a69" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a62 a69" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                     <bond atomRefs2="a63 a69" order="S"/>
                  </bondArray>
                  <formula concise="Br5Cu64">
                     <atomArray count="5 64" elementType="Br Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4466.463999999996</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.69">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">10.364410710831562</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">10.364412581405663</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.16843459"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.16843372"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.4184342"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.4184343"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.24343294"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.24343304"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.49343352"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.49343362"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.04186"
                           xFract="0.06898598"
                           y3="0.5713"
                           yFract="0.06368837"
                           z3="5.37103"
                           zFract="0.24928143"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="3.60406"
                           xFract="0.3156925"
                           y3="0.58872"
                           yFract="0.06563035"
                           z3="5.52625"
                           zFract="0.24917764"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="2.33505"
                           xFract="0.06817364"
                           y3="2.83702"
                           yFract="0.31627024"
                           z3="5.51414"
                           zFract="0.24851349"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.9355"
                           xFract="0.31910289"
                           y3="2.84498"
                           yFract="0.31715762"
                           z3="5.66403"
                           zFract="0.24806382"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.24084"
                           xFract="0.14872963"
                           y3="1.22238"
                           yFract="0.1362706"
                           z3="7.55604"
                           zFract="0.34775671"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="4.79205"
                           xFract="0.39596032"
                           y3="1.21123"
                           yFract="0.1350276"
                           z3="7.62007"
                           zFract="0.34343277"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="3.49117"
                           xFract="0.14636199"
                           y3="3.4415"
                           yFract="0.38365752"
                           z3="7.67933"
                           zFract="0.34625577"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.07129"
                           xFract="0.39583194"
                           y3="3.44035"
                           yFract="0.38352931"
                           z3="7.9132"
                           zFract="0.34983959"/>
                     <atom elementType="Cu"
                           id="a17"
                           x3="5.1870"
                           xFract="0.16843382"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a18"
                           x3="6.47529"
                           xFract="0.16843391"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a19"
                           x3="7.77327"
                           xFract="0.4184344"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a20"
                           x3="9.06156"
                           xFract="0.41843449"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="6.34936"
                           xFract="0.24343314"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="7.63765"
                           xFract="0.24343323"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="8.93563"
                           xFract="0.49343372"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="10.22391"
                           xFract="0.49343285"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="3.61556"
                           xFract="0.06659927"
                           y3="5.09439"
                           yFract="0.56792126"
                           z3="5.70598"
                           zFract="0.25009369"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.21728"
                           xFract="0.31998082"
                           y3="5.0604"
                           yFract="0.56413206"
                           z3="5.89189"
                           zFract="0.25140874"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.94419"
                           xFract="0.07313265"
                           y3="7.28952"
                           yFract="0.81263378"
                           z3="5.86467"
                           zFract="0.25007597"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.50386"
                           xFract="0.31965624"
                           y3="7.30583"
                           yFract="0.81445201"
                           z3="5.99289"
                           zFract="0.24870829"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.78612"
                           xFract="0.14322254"
                           y3="5.75219"
                           yFract="0.64125263"
                           z3="7.9138"
                           zFract="0.34971523"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="7.38213"
                           xFract="0.39606657"
                           y3="5.71794"
                           yFract="0.63743445"
                           z3="8.06573"
                           zFract="0.34944505"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.0548"
                           xFract="0.1423216"
                           y3="7.97684"
                           yFract="0.88925603"
                           z3="8.04903"
                           zFract="0.34871507"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.64932"
                           xFract="0.39363999"
                           y3="7.96747"
                           yFract="0.88821146"
                           z3="8.17744"
                           zFract="0.34729868"/>
                     <atom elementType="Cu"
                           id="a33"
                           x3="7.78295"
                           xFract="0.66843382"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a34"
                           x3="9.07124"
                           xFract="0.66843391"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a35"
                           x3="10.36922"
                           xFract="0.9184344"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a36"
                           x3="11.65751"
                           xFract="0.91843449"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a37"
                           x3="8.94531"
                           xFract="0.74343314"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a38"
                           x3="10.2336"
                           xFract="0.74343323"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a39"
                           x3="11.53158"
                           xFract="0.99343372"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a40"
                           x3="12.81986"
                           xFract="0.99343285"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a41"
                           x3="6.24667"
                           xFract="0.5724247"
                           y3="0.56557"
                           yFract="0.0630496"
                           z3="5.68376"
                           zFract="0.24901755"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="8.82083"
                           xFract="0.81879631"
                           y3="0.60984"
                           yFract="0.0679848"
                           z3="5.85551"
                           zFract="0.24961379"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="7.50173"
                           xFract="0.56764721"
                           y3="2.83632"
                           yFract="0.31619221"
                           z3="5.8471"
                           zFract="0.24930507"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.0947"
                           xFract="0.81871471"
                           y3="2.82877"
                           yFract="0.31535054"
                           z3="6.00641"
                           zFract="0.24934704"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.38341"
                           xFract="0.64762574"
                           y3="1.19011"
                           yFract="0.13267315"
                           z3="7.86687"
                           zFract="0.34762717"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="9.96493"
                           xFract="0.89612262"
                           y3="1.20892"
                           yFract="0.13477008"
                           z3="8.05201"
                           zFract="0.34887602"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="8.66548"
                           xFract="0.64403201"
                           y3="3.48656"
                           yFract="0.38868079"
                           z3="8.05055"
                           zFract="0.34875285"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.24705"
                           xFract="0.89224774"
                           y3="3.51052"
                           yFract="0.39135185"
                           z3="8.17605"
                           zFract="0.34718096"/>
                     <atom elementType="Cu"
                           id="a49"
                           x3="10.35953"
                           xFract="0.66843401"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.90692"
                           zFract="0.05000395"/>
                     <atom elementType="Cu"
                           id="a50"
                           x3="11.64782"
                           xFract="0.66843411"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.0652"
                           zFract="0.05000409"/>
                     <atom elementType="Cu"
                           id="a51"
                           x3="12.9458"
                           xFract="0.91843459"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="2.0652"
                           zFract="0.05000408"/>
                     <atom elementType="Cu"
                           id="a52"
                           x3="14.23408"
                           xFract="0.91843372"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.22348"
                           zFract="0.05000424"/>
                     <atom elementType="Cu"
                           id="a53"
                           x3="11.52189"
                           xFract="0.74343333"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.1228"
                           zFract="0.15000418"/>
                     <atom elementType="Cu"
                           id="a54"
                           x3="12.81018"
                           xFract="0.74343343"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.28107"
                           zFract="0.15000385"/>
                     <atom elementType="Cu"
                           id="a55"
                           x3="14.10815"
                           xFract="0.99343294"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.28107"
                           zFract="0.15000386"/>
                     <atom elementType="Cu"
                           id="a56"
                           x3="15.39644"
                           xFract="0.99343304"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.43935"
                           zFract="0.150004"/>
                     <atom elementType="Cu"
                           id="a57"
                           x3="8.80017"
                           xFract="0.56905605"
                           y3="5.07118"
                           yFract="0.56533381"
                           z3="6.05932"
                           zFract="0.25183203"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="11.39063"
                           xFract="0.81915345"
                           y3="5.07673"
                           yFract="0.56595253"
                           z3="6.19328"
                           zFract="0.25066412"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="10.0748"
                           xFract="0.56773626"
                           y3="7.31373"
                           yFract="0.8153327"
                           z3="6.15975"
                           zFract="0.249144"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.66801"
                           xFract="0.81844157"
                           y3="7.31312"
                           yFract="0.8152647"
                           z3="6.30487"
                           zFract="0.24850463"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.94201"
                           xFract="0.64321519"
                           y3="5.72336"
                           yFract="0.63803867"
                           z3="8.23179"
                           zFract="0.3498791"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="12.57129"
                           xFract="0.89632989"
                           y3="5.74215"
                           yFract="0.64013337"
                           z3="8.39359"
                           zFract="0.3498897"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="11.24215"
                           xFract="0.64214896"
                           y3="8.00575"
                           yFract="0.89247891"
                           z3="8.35061"
                           zFract="0.347918"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.84862"
                           xFract="0.89628232"
                           y3="7.96649"
                           yFract="0.88810221"
                           z3="8.43098"
                           zFract="0.34425198"/>
                     <atom elementType="Br"
                           id="a65"
                           x3="4.1524"
                           xFract="0.1599222"
                           y3="4.34833"
                           yFract="0.48475069"
                           z3="9.87523"
                           zFract="0.44636906"/>
                     <atom elementType="Br"
                           id="a66"
                           x3="6.95624"
                           xFract="0.28336793"
                           y3="7.00605"
                           yFract="0.78103261"
                           z3="10.17329"
                           zFract="0.44789327"/>
                     <atom elementType="Br"
                           id="a67"
                           x3="7.41897"
                           xFract="0.58415869"
                           y3="2.39492"
                           yFract="0.26698505"
                           z3="10.00095"
                           zFract="0.44613339"/>
                     <atom elementType="Br"
                           id="a68"
                           x3="11.24409"
                           xFract="0.97537934"
                           y3="2.00834"
                           yFract="0.22388922"
                           z3="10.17755"
                           zFract="0.44406821"/>
                     <atom elementType="Br"
                           id="a69"
                           x3="11.0560"
                           xFract="0.70559901"
                           y3="6.53911"
                           yFract="0.72897827"
                           z3="10.36371"
                           zFract="0.44582143"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a33" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a4 a33" order="S"/>
                     <bond atomRefs2="a4 a19" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a17" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a34" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a26" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a33" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a41" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a37" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a21" order="S"/>
                     <bond atomRefs2="a8 a26" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a34" order="S"/>
                     <bond atomRefs2="a8 a38" order="S"/>
                     <bond atomRefs2="a8 a37" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a23" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a25" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a26" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a29" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a16 a43" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a26" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a30" order="S"/>
                     <bond atomRefs2="a16 a47" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a23" order="S"/>
                     <bond atomRefs2="a19 a34" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a27" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a26" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a23" order="S"/>
                     <bond atomRefs2="a22 a28" order="S"/>
                     <bond atomRefs2="a22 a24" order="S"/>
                     <bond atomRefs2="a22 a23" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a24" order="S"/>
                     <bond atomRefs2="a23 a59" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a57" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a30 a61" order="S"/>
                     <bond atomRefs2="a30 a47" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a66" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a61" order="S"/>
                     <bond atomRefs2="a33 a35" order="S"/>
                     <bond atomRefs2="a33 a34" order="S"/>
                     <bond atomRefs2="a33 a37" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a35" order="S"/>
                     <bond atomRefs2="a34 a38" order="S"/>
                     <bond atomRefs2="a34 a37" order="S"/>
                     <bond atomRefs2="a34 a36" order="S"/>
                     <bond atomRefs2="a35 a36" order="S"/>
                     <bond atomRefs2="a35 a39" order="S"/>
                     <bond atomRefs2="a35 a37" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a40" order="S"/>
                     <bond atomRefs2="a36 a39" order="S"/>
                     <bond atomRefs2="a36 a38" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a44" order="S"/>
                     <bond atomRefs2="a38 a40" order="S"/>
                     <bond atomRefs2="a38 a39" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a57" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a58" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a45 a67" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a46 a68" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a57" order="S"/>
                     <bond atomRefs2="a47 a61" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a47 a67" order="S"/>
                     <bond atomRefs2="a48 a68" order="S"/>
                     <bond atomRefs2="a48 a58" order="S"/>
                     <bond atomRefs2="a48 a62" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a61 a69" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a62 a69" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                     <bond atomRefs2="a63 a69" order="S"/>
                  </bondArray>
                  <formula concise="Br5Cu64">
                     <atomArray count="5 64" elementType="Br Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4466.463999999996</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.70">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">10.364410710831562</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">10.364412581405663</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.16843459"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.16843372"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.4184342"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.4184343"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.24343294"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.24343304"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.49343352"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.49343362"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.04676"
                           xFract="0.06977395"
                           y3="0.56564"
                           yFract="0.0630574"
                           z3="5.37155"
                           zFract="0.24930126"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="3.60605"
                           xFract="0.31661732"
                           y3="0.57553"
                           yFract="0.06415993"
                           z3="5.52206"
                           zFract="0.24899637"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="2.33598"
                           xFract="0.06870168"
                           y3="2.82913"
                           yFract="0.31539067"
                           z3="5.52025"
                           zFract="0.24881207"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.92786"
                           xFract="0.31870867"
                           y3="2.83878"
                           yFract="0.31646645"
                           z3="5.66617"
                           zFract="0.24819712"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.24406"
                           xFract="0.14990773"
                           y3="1.20677"
                           yFract="0.1345304"
                           z3="7.56265"
                           zFract="0.34808515"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="4.79084"
                           xFract="0.39584502"
                           y3="1.2112"
                           yFract="0.13502426"
                           z3="7.62024"
                           zFract="0.34344433"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="3.50095"
                           xFract="0.14728738"
                           y3="3.44186"
                           yFract="0.38369765"
                           z3="7.70579"
                           zFract="0.34747452"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.06137"
                           xFract="0.39444933"
                           y3="3.44798"
                           yFract="0.38437991"
                           z3="7.92314"
                           zFract="0.35032414"/>
                     <atom elementType="Cu"
                           id="a17"
                           x3="5.1870"
                           xFract="0.16843382"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a18"
                           x3="6.47529"
                           xFract="0.16843391"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a19"
                           x3="7.77327"
                           xFract="0.4184344"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a20"
                           x3="9.06156"
                           xFract="0.41843449"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="6.34936"
                           xFract="0.24343314"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="7.63765"
                           xFract="0.24343323"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="8.93563"
                           xFract="0.49343372"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="10.22391"
                           xFract="0.49343285"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="3.60864"
                           xFract="0.06671834"
                           y3="5.0802"
                           yFract="0.56633936"
                           z3="5.70087"
                           zFract="0.24989642"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.22167"
                           xFract="0.32077224"
                           y3="5.05379"
                           yFract="0.56339518"
                           z3="5.88272"
                           zFract="0.25097475"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.94029"
                           xFract="0.07275511"
                           y3="7.28953"
                           yFract="0.81263489"
                           z3="5.84708"
                           zFract="0.24925784"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.50217"
                           xFract="0.32016758"
                           y3="7.29368"
                           yFract="0.81309753"
                           z3="5.99328"
                           zFract="0.24875185"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.77639"
                           xFract="0.14238139"
                           y3="5.7504"
                           yFract="0.64105308"
                           z3="7.87545"
                           zFract="0.34793811"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="7.38437"
                           xFract="0.39729932"
                           y3="5.69964"
                           yFract="0.63539437"
                           z3="8.0627"
                           zFract="0.34932629"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.04966"
                           xFract="0.14156486"
                           y3="7.98152"
                           yFract="0.88977775"
                           z3="8.04719"
                           zFract="0.34863533"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.64798"
                           xFract="0.39391084"
                           y3="7.96026"
                           yFract="0.88740769"
                           z3="8.18788"
                           zFract="0.34780683"/>
                     <atom elementType="Cu"
                           id="a33"
                           x3="7.78295"
                           xFract="0.66843382"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a34"
                           x3="9.07124"
                           xFract="0.66843391"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a35"
                           x3="10.36922"
                           xFract="0.9184344"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a36"
                           x3="11.65751"
                           xFract="0.91843449"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a37"
                           x3="8.94531"
                           xFract="0.74343314"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a38"
                           x3="10.2336"
                           xFract="0.74343323"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a39"
                           x3="11.53158"
                           xFract="0.99343372"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a40"
                           x3="12.81986"
                           xFract="0.99343285"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a41"
                           x3="6.25027"
                           xFract="0.57281434"
                           y3="0.56482"
                           yFract="0.06296599"
                           z3="5.6824"
                           zFract="0.24894429"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="8.8188"
                           xFract="0.81898047"
                           y3="0.60299"
                           yFract="0.06722117"
                           z3="5.85741"
                           zFract="0.24972067"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="7.5013"
                           xFract="0.5679505"
                           y3="2.83011"
                           yFract="0.31549992"
                           z3="5.84996"
                           zFract="0.24945153"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.09648"
                           xFract="0.81905836"
                           y3="2.82568"
                           yFract="0.31500606"
                           z3="6.00473"
                           zFract="0.24926785"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.38528"
                           xFract="0.64809416"
                           y3="1.18493"
                           yFract="0.13209569"
                           z3="7.87719"
                           zFract="0.348117"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="9.96377"
                           xFract="0.89649584"
                           y3="1.20018"
                           yFract="0.13379575"
                           z3="8.05479"
                           zFract="0.34902504"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="8.66999"
                           xFract="0.64449796"
                           y3="3.48602"
                           yFract="0.38862059"
                           z3="8.04307"
                           zFract="0.34838806"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.2486"
                           xFract="0.89255195"
                           y3="3.50774"
                           yFract="0.39104193"
                           z3="8.1685"
                           zFract="0.34682515"/>
                     <atom elementType="Cu"
                           id="a49"
                           x3="10.35953"
                           xFract="0.66843401"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.90692"
                           zFract="0.05000395"/>
                     <atom elementType="Cu"
                           id="a50"
                           x3="11.64782"
                           xFract="0.66843411"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.0652"
                           zFract="0.05000409"/>
                     <atom elementType="Cu"
                           id="a51"
                           x3="12.9458"
                           xFract="0.91843459"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="2.0652"
                           zFract="0.05000408"/>
                     <atom elementType="Cu"
                           id="a52"
                           x3="14.23408"
                           xFract="0.91843372"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.22348"
                           zFract="0.05000424"/>
                     <atom elementType="Cu"
                           id="a53"
                           x3="11.52189"
                           xFract="0.74343333"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.1228"
                           zFract="0.15000418"/>
                     <atom elementType="Cu"
                           id="a54"
                           x3="12.81018"
                           xFract="0.74343343"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.28107"
                           zFract="0.15000385"/>
                     <atom elementType="Cu"
                           id="a55"
                           x3="14.10815"
                           xFract="0.99343294"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.28107"
                           zFract="0.15000386"/>
                     <atom elementType="Cu"
                           id="a56"
                           x3="15.39644"
                           xFract="0.99343304"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.43935"
                           zFract="0.150004"/>
                     <atom elementType="Cu"
                           id="a57"
                           x3="8.80139"
                           xFract="0.56936834"
                           y3="5.06768"
                           yFract="0.56494364"
                           z3="6.06348"
                           zFract="0.2520305"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="11.38357"
                           xFract="0.81906518"
                           y3="5.06603"
                           yFract="0.56475969"
                           z3="6.19227"
                           zFract="0.25065474"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="10.07645"
                           xFract="0.56797072"
                           y3="7.31238"
                           yFract="0.8151822"
                           z3="6.15861"
                           zFract="0.24908774"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.66701"
                           xFract="0.81888466"
                           y3="7.3034"
                           yFract="0.81418111"
                           z3="6.30252"
                           zFract="0.24841294"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.94537"
                           xFract="0.64383763"
                           y3="5.7180"
                           yFract="0.63744114"
                           z3="8.21787"
                           zFract="0.34922203"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="12.56776"
                           xFract="0.89673167"
                           y3="5.72877"
                           yFract="0.63864178"
                           z3="8.39282"
                           zFract="0.34988593"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="11.24082"
                           xFract="0.6420787"
                           y3="8.0047"
                           yFract="0.89236185"
                           z3="8.34986"
                           zFract="0.34788823"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.83743"
                           xFract="0.89545941"
                           y3="7.96183"
                           yFract="0.88758272"
                           z3="8.43517"
                           zFract="0.34448961"/>
                     <atom elementType="Br"
                           id="a65"
                           x3="4.13894"
                           xFract="0.15679301"
                           y3="4.38125"
                           yFract="0.4884206"
                           z3="9.87596"
                           zFract="0.44638734"/>
                     <atom elementType="Br"
                           id="a66"
                           x3="7.04826"
                           xFract="0.28977521"
                           y3="7.05085"
                           yFract="0.78602691"
                           z3="10.16937"
                           zFract="0.44736809"/>
                     <atom elementType="Br"
                           id="a67"
                           x3="7.40552"
                           xFract="0.58316286"
                           y3="2.38944"
                           yFract="0.26637414"
                           z3="9.9921"
                           zFract="0.44576408"/>
                     <atom elementType="Br"
                           id="a68"
                           x3="11.24432"
                           xFract="0.97470189"
                           y3="2.02094"
                           yFract="0.22529386"
                           z3="10.18186"
                           zFract="0.44424972"/>
                     <atom elementType="Br"
                           id="a69"
                           x3="11.05763"
                           xFract="0.70553556"
                           y3="6.54309"
                           yFract="0.72942196"
                           z3="10.36783"
                           zFract="0.44600433"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a33" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a4 a33" order="S"/>
                     <bond atomRefs2="a4 a19" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a17" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a34" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a26" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a33" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a41" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a37" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a21" order="S"/>
                     <bond atomRefs2="a8 a26" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a34" order="S"/>
                     <bond atomRefs2="a8 a38" order="S"/>
                     <bond atomRefs2="a8 a37" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a23" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a25" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a26" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a29" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a16 a67" order="S"/>
                     <bond atomRefs2="a16 a43" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a26" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a30" order="S"/>
                     <bond atomRefs2="a16 a47" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a23" order="S"/>
                     <bond atomRefs2="a19 a34" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a27" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a26" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a23" order="S"/>
                     <bond atomRefs2="a22 a28" order="S"/>
                     <bond atomRefs2="a22 a24" order="S"/>
                     <bond atomRefs2="a22 a23" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a24" order="S"/>
                     <bond atomRefs2="a23 a59" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a57" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a30 a61" order="S"/>
                     <bond atomRefs2="a30 a47" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a66" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a61" order="S"/>
                     <bond atomRefs2="a33 a35" order="S"/>
                     <bond atomRefs2="a33 a34" order="S"/>
                     <bond atomRefs2="a33 a37" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a35" order="S"/>
                     <bond atomRefs2="a34 a38" order="S"/>
                     <bond atomRefs2="a34 a37" order="S"/>
                     <bond atomRefs2="a34 a36" order="S"/>
                     <bond atomRefs2="a35 a36" order="S"/>
                     <bond atomRefs2="a35 a39" order="S"/>
                     <bond atomRefs2="a35 a37" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a40" order="S"/>
                     <bond atomRefs2="a36 a39" order="S"/>
                     <bond atomRefs2="a36 a38" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a44" order="S"/>
                     <bond atomRefs2="a38 a40" order="S"/>
                     <bond atomRefs2="a38 a39" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a57" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a58" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a45 a67" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a46 a68" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a57" order="S"/>
                     <bond atomRefs2="a47 a61" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a47 a67" order="S"/>
                     <bond atomRefs2="a48 a68" order="S"/>
                     <bond atomRefs2="a48 a58" order="S"/>
                     <bond atomRefs2="a48 a62" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a61 a69" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a62 a69" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                     <bond atomRefs2="a63 a69" order="S"/>
                  </bondArray>
                  <formula concise="Br5Cu64">
                     <atomArray count="5 64" elementType="Br Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4466.463999999996</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.71">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">10.364410710831562</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">10.364412581405663</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.16843459"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.16843372"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.4184342"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.4184343"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.24343294"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.24343304"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.49343352"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.49343362"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.04895"
                           xFract="0.0698196"
                           y3="0.56863"
                           yFract="0.06339072"
                           z3="5.37446"
                           zFract="0.24942715"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="3.61114"
                           xFract="0.31762633"
                           y3="0.56622"
                           yFract="0.06312206"
                           z3="5.52446"
                           zFract="0.24911039"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="2.34544"
                           xFract="0.06977938"
                           y3="2.82619"
                           yFract="0.31506292"
                           z3="5.53318"
                           zFract="0.24939933"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.92443"
                           xFract="0.31859923"
                           y3="2.83478"
                           yFract="0.31602053"
                           z3="5.67743"
                           zFract="0.2487446"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.24601"
                           xFract="0.14980135"
                           y3="1.21208"
                           yFract="0.13512236"
                           z3="7.56759"
                           zFract="0.34830357"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="4.78996"
                           xFract="0.39555505"
                           y3="1.21489"
                           yFract="0.13543562"
                           z3="7.62574"
                           zFract="0.34370003"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="3.49893"
                           xFract="0.14726926"
                           y3="3.43867"
                           yFract="0.38334203"
                           z3="7.7077"
                           zFract="0.34757574"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.06362"
                           xFract="0.39434919"
                           y3="3.4537"
                           yFract="0.38501757"
                           z3="7.92996"
                           zFract="0.35062966"/>
                     <atom elementType="Cu"
                           id="a17"
                           x3="5.1870"
                           xFract="0.16843382"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a18"
                           x3="6.47529"
                           xFract="0.16843391"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a19"
                           x3="7.77327"
                           xFract="0.4184344"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a20"
                           x3="9.06156"
                           xFract="0.41843449"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="6.34936"
                           xFract="0.24343314"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="7.63765"
                           xFract="0.24343323"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="8.93563"
                           xFract="0.49343372"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="10.22391"
                           xFract="0.49343285"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="3.60343"
                           xFract="0.066835"
                           y3="5.06903"
                           yFract="0.56509413"
                           z3="5.69577"
                           zFract="0.24968964"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.22273"
                           xFract="0.32120567"
                           y3="5.04783"
                           yFract="0.56273076"
                           z3="5.86909"
                           zFract="0.25033899"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.93028"
                           xFract="0.07175084"
                           y3="7.29019"
                           yFract="0.81270847"
                           z3="5.83919"
                           zFract="0.24891361"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.50184"
                           xFract="0.32030006"
                           y3="7.29072"
                           yFract="0.81276755"
                           z3="5.99681"
                           zFract="0.24892418"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.77609"
                           xFract="0.14249289"
                           y3="5.74787"
                           yFract="0.64077104"
                           z3="7.8591"
                           zFract="0.3471723"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="7.37696"
                           xFract="0.39669687"
                           y3="5.69759"
                           yFract="0.63516584"
                           z3="8.0587"
                           zFract="0.34916249"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.04405"
                           xFract="0.14194161"
                           y3="7.96497"
                           yFract="0.88793276"
                           z3="8.04156"
                           zFract="0.3484137"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.65045"
                           xFract="0.39402632"
                           y3="7.96248"
                           yFract="0.88765518"
                           z3="8.20083"
                           zFract="0.34840658"/>
                     <atom elementType="Cu"
                           id="a33"
                           x3="7.78295"
                           xFract="0.66843382"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a34"
                           x3="9.07124"
                           xFract="0.66843391"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a35"
                           x3="10.36922"
                           xFract="0.9184344"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a36"
                           x3="11.65751"
                           xFract="0.91843449"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a37"
                           x3="8.94531"
                           xFract="0.74343314"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a38"
                           x3="10.2336"
                           xFract="0.74343323"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a39"
                           x3="11.53158"
                           xFract="0.99343372"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a40"
                           x3="12.81986"
                           xFract="0.99343285"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a41"
                           x3="6.24967"
                           xFract="0.57248202"
                           y3="0.56976"
                           yFract="0.0635167"
                           z3="5.68131"
                           zFract="0.24888638"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="8.82152"
                           xFract="0.81942887"
                           y3="0.59965"
                           yFract="0.06684882"
                           z3="5.85591"
                           zFract="0.24964767"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="7.49861"
                           xFract="0.56783541"
                           y3="2.8275"
                           yFract="0.31520896"
                           z3="5.85061"
                           zFract="0.2494943"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.09051"
                           xFract="0.81858012"
                           y3="2.8239"
                           yFract="0.31480763"
                           z3="6.00177"
                           zFract="0.24914849"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.38344"
                           xFract="0.64789075"
                           y3="1.18539"
                           yFract="0.13214697"
                           z3="7.87167"
                           zFract="0.34786128"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="9.96161"
                           xFract="0.89597773"
                           y3="1.20575"
                           yFract="0.13441669"
                           z3="8.05506"
                           zFract="0.3490347"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="8.66931"
                           xFract="0.64473487"
                           y3="3.48057"
                           yFract="0.38801303"
                           z3="8.03849"
                           zFract="0.34818318"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.25046"
                           xFract="0.89312435"
                           y3="3.50067"
                           yFract="0.39025377"
                           z3="8.1670"
                           zFract="0.34676086"/>
                     <atom elementType="Cu"
                           id="a49"
                           x3="10.35953"
                           xFract="0.66843401"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.90692"
                           zFract="0.05000395"/>
                     <atom elementType="Cu"
                           id="a50"
                           x3="11.64782"
                           xFract="0.66843411"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.0652"
                           zFract="0.05000409"/>
                     <atom elementType="Cu"
                           id="a51"
                           x3="12.9458"
                           xFract="0.91843459"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="2.0652"
                           zFract="0.05000408"/>
                     <atom elementType="Cu"
                           id="a52"
                           x3="14.23408"
                           xFract="0.91843372"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.22348"
                           zFract="0.05000424"/>
                     <atom elementType="Cu"
                           id="a53"
                           x3="11.52189"
                           xFract="0.74343333"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.1228"
                           zFract="0.15000418"/>
                     <atom elementType="Cu"
                           id="a54"
                           x3="12.81018"
                           xFract="0.74343343"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.28107"
                           zFract="0.15000385"/>
                     <atom elementType="Cu"
                           id="a55"
                           x3="14.10815"
                           xFract="0.99343294"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.28107"
                           zFract="0.15000386"/>
                     <atom elementType="Cu"
                           id="a56"
                           x3="15.39644"
                           xFract="0.99343304"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.43935"
                           zFract="0.150004"/>
                     <atom elementType="Cu"
                           id="a57"
                           x3="8.80516"
                           xFract="0.56985437"
                           y3="5.06549"
                           yFract="0.5646995"
                           z3="6.05472"
                           zFract="0.25161025"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="11.3822"
                           xFract="0.81933313"
                           y3="5.05882"
                           yFract="0.56395593"
                           z3="6.18508"
                           zFract="0.25033173"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="10.07926"
                           xFract="0.56818016"
                           y3="7.3135"
                           yFract="0.81530706"
                           z3="6.15815"
                           zFract="0.24905607"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.66659"
                           xFract="0.81931997"
                           y3="7.29483"
                           yFract="0.81322573"
                           z3="6.30389"
                           zFract="0.24849306"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.95463"
                           xFract="0.64497931"
                           y3="5.71356"
                           yFract="0.63694617"
                           z3="8.20982"
                           zFract="0.34882317"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="12.55918"
                           xFract="0.89619771"
                           y3="5.72345"
                           yFract="0.6380487"
                           z3="8.38837"
                           zFract="0.34970975"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="11.23892"
                           xFract="0.64244536"
                           y3="7.99479"
                           yFract="0.89125709"
                           z3="8.34944"
                           zFract="0.34789046"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.83815"
                           xFract="0.89533521"
                           y3="7.96532"
                           yFract="0.88797178"
                           z3="8.43529"
                           zFract="0.34448736"/>
                     <atom elementType="Br"
                           id="a65"
                           x3="4.12918"
                           xFract="0.15399427"
                           y3="4.41466"
                           yFract="0.49214514"
                           z3="9.87777"
                           zFract="0.44644504"/>
                     <atom elementType="Br"
                           id="a66"
                           x3="7.1270"
                           xFract="0.2952514"
                           y3="7.0893"
                           yFract="0.7903133"
                           z3="10.1489"
                           zFract="0.44611152"/>
                     <atom elementType="Br"
                           id="a67"
                           x3="7.39414"
                           xFract="0.58125818"
                           y3="2.40393"
                           yFract="0.26798949"
                           z3="10.00233"
                           zFract="0.44625505"/>
                     <atom elementType="Br"
                           id="a68"
                           x3="11.24264"
                           xFract="0.97472441"
                           y3="2.01761"
                           yFract="0.22492263"
                           z3="10.18073"
                           zFract="0.44420685"/>
                     <atom elementType="Br"
                           id="a69"
                           x3="11.06493"
                           xFract="0.70673988"
                           y3="6.53411"
                           yFract="0.72842087"
                           z3="10.36799"
                           zFract="0.44600581"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a33" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a4 a33" order="S"/>
                     <bond atomRefs2="a4 a19" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a17" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a34" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a26" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a33" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a41" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a37" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a21" order="S"/>
                     <bond atomRefs2="a8 a26" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a34" order="S"/>
                     <bond atomRefs2="a8 a38" order="S"/>
                     <bond atomRefs2="a8 a37" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a23" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a25" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a26" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a29" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a16 a67" order="S"/>
                     <bond atomRefs2="a16 a43" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a26" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a30" order="S"/>
                     <bond atomRefs2="a16 a47" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a23" order="S"/>
                     <bond atomRefs2="a19 a34" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a27" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a26" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a23" order="S"/>
                     <bond atomRefs2="a22 a28" order="S"/>
                     <bond atomRefs2="a22 a24" order="S"/>
                     <bond atomRefs2="a22 a23" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a24" order="S"/>
                     <bond atomRefs2="a23 a59" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a57" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a30 a61" order="S"/>
                     <bond atomRefs2="a30 a47" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a66" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a61" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a33 a35" order="S"/>
                     <bond atomRefs2="a33 a34" order="S"/>
                     <bond atomRefs2="a33 a37" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a35" order="S"/>
                     <bond atomRefs2="a34 a38" order="S"/>
                     <bond atomRefs2="a34 a37" order="S"/>
                     <bond atomRefs2="a34 a36" order="S"/>
                     <bond atomRefs2="a35 a36" order="S"/>
                     <bond atomRefs2="a35 a39" order="S"/>
                     <bond atomRefs2="a35 a37" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a40" order="S"/>
                     <bond atomRefs2="a36 a39" order="S"/>
                     <bond atomRefs2="a36 a38" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a44" order="S"/>
                     <bond atomRefs2="a38 a40" order="S"/>
                     <bond atomRefs2="a38 a39" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a57" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a58" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a45 a67" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a46 a68" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a57" order="S"/>
                     <bond atomRefs2="a47 a61" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a47 a67" order="S"/>
                     <bond atomRefs2="a48 a68" order="S"/>
                     <bond atomRefs2="a48 a58" order="S"/>
                     <bond atomRefs2="a48 a62" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a61 a69" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a62 a69" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                     <bond atomRefs2="a63 a69" order="S"/>
                  </bondArray>
                  <formula concise="Br5Cu64">
                     <atomArray count="5 64" elementType="Br Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4466.463999999996</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.72">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">10.364410710831562</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">10.364412581405663</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.16843459"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.16843372"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.4184342"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.4184343"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.24343294"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.24343304"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.49343352"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.49343362"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.04971"
                           xFract="0.06983587"
                           y3="0.56966"
                           yFract="0.06350555"
                           z3="5.37546"
                           zFract="0.24947039"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="3.61289"
                           xFract="0.31797375"
                           y3="0.56301"
                           yFract="0.06276421"
                           z3="5.52529"
                           zFract="0.24914983"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="2.3487"
                           xFract="0.07015115"
                           y3="2.82517"
                           yFract="0.31494921"
                           z3="5.53763"
                           zFract="0.24960144"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.92326"
                           xFract="0.31856277"
                           y3="2.8334"
                           yFract="0.31586669"
                           z3="5.68131"
                           zFract="0.24893322"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.24668"
                           xFract="0.1497645"
                           y3="1.21391"
                           yFract="0.13532637"
                           z3="7.56929"
                           zFract="0.34837874"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="4.78966"
                           xFract="0.39545497"
                           y3="1.21617"
                           yFract="0.13557831"
                           z3="7.62763"
                           zFract="0.34378787"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="3.49824"
                           xFract="0.14726364"
                           y3="3.43757"
                           yFract="0.3832194"
                           z3="7.70836"
                           zFract="0.34761068"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.06439"
                           xFract="0.39431422"
                           y3="3.45567"
                           yFract="0.38523718"
                           z3="7.9323"
                           zFract="0.35073448"/>
                     <atom elementType="Cu"
                           id="a17"
                           x3="5.1870"
                           xFract="0.16843382"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a18"
                           x3="6.47529"
                           xFract="0.16843391"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a19"
                           x3="7.77327"
                           xFract="0.4184344"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a20"
                           x3="9.06156"
                           xFract="0.41843449"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="6.34936"
                           xFract="0.24343314"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="7.63765"
                           xFract="0.24343323"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="8.93563"
                           xFract="0.49343372"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="10.22391"
                           xFract="0.49343285"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="3.60163"
                           xFract="0.06687424"
                           y3="5.06519"
                           yFract="0.56466605"
                           z3="5.69401"
                           zFract="0.24961827"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.22309"
                           xFract="0.3213543"
                           y3="5.04578"
                           yFract="0.56250223"
                           z3="5.8644"
                           zFract="0.25012025"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.92683"
                           xFract="0.07140513"
                           y3="7.29041"
                           yFract="0.81273299"
                           z3="5.83647"
                           zFract="0.24879495"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.50173"
                           xFract="0.32034606"
                           y3="7.2897"
                           yFract="0.81265384"
                           z3="5.99803"
                           zFract="0.24898372"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.77599"
                           xFract="0.14253153"
                           y3="5.7470"
                           yFract="0.64067405"
                           z3="7.85347"
                           zFract="0.34690859"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="7.3744"
                           xFract="0.39648828"
                           y3="5.69689"
                           yFract="0.6350878"
                           z3="8.05733"
                           zFract="0.34910646"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.04211"
                           xFract="0.14207006"
                           y3="7.95928"
                           yFract="0.88729844"
                           z3="8.03962"
                           zFract="0.34833733"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.6513"
                           xFract="0.39406573"
                           y3="7.96325"
                           yFract="0.88774102"
                           z3="8.20529"
                           zFract="0.34861313"/>
                     <atom elementType="Cu"
                           id="a33"
                           x3="7.78295"
                           xFract="0.66843382"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a34"
                           x3="9.07124"
                           xFract="0.66843391"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a35"
                           x3="10.36922"
                           xFract="0.9184344"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a36"
                           x3="11.65751"
                           xFract="0.91843449"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a37"
                           x3="8.94531"
                           xFract="0.74343314"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a38"
                           x3="10.2336"
                           xFract="0.74343323"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a39"
                           x3="11.53158"
                           xFract="0.99343372"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a40"
                           x3="12.81986"
                           xFract="0.99343285"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a41"
                           x3="6.24947"
                           xFract="0.57236828"
                           y3="0.57146"
                           yFract="0.06370621"
                           z3="5.68093"
                           zFract="0.2488662"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="8.82246"
                           xFract="0.81958415"
                           y3="0.59849"
                           yFract="0.06671951"
                           z3="5.8554"
                           zFract="0.24962285"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="7.49769"
                           xFract="0.56779645"
                           y3="2.8266"
                           yFract="0.31510863"
                           z3="5.85084"
                           zFract="0.2495093"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.08845"
                           xFract="0.81841486"
                           y3="2.82329"
                           yFract="0.31473963"
                           z3="6.00074"
                           zFract="0.24910688"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.38281"
                           xFract="0.64782096"
                           y3="1.18555"
                           yFract="0.1321648"
                           z3="7.86978"
                           zFract="0.34777372"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="9.96087"
                           xFract="0.89580014"
                           y3="1.20766"
                           yFract="0.13462962"
                           z3="8.05516"
                           zFract="0.34903836"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="8.66908"
                           xFract="0.64481703"
                           y3="3.47869"
                           yFract="0.38780345"
                           z3="8.03692"
                           zFract="0.34811296"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.25111"
                           xFract="0.89332268"
                           y3="3.49823"
                           yFract="0.38998176"
                           z3="8.16648"
                           zFract="0.34673854"/>
                     <atom elementType="Cu"
                           id="a49"
                           x3="10.35953"
                           xFract="0.66843401"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.90692"
                           zFract="0.05000395"/>
                     <atom elementType="Cu"
                           id="a50"
                           x3="11.64782"
                           xFract="0.66843411"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.0652"
                           zFract="0.05000409"/>
                     <atom elementType="Cu"
                           id="a51"
                           x3="12.9458"
                           xFract="0.91843459"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="2.0652"
                           zFract="0.05000408"/>
                     <atom elementType="Cu"
                           id="a52"
                           x3="14.23408"
                           xFract="0.91843372"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.22348"
                           zFract="0.05000424"/>
                     <atom elementType="Cu"
                           id="a53"
                           x3="11.52189"
                           xFract="0.74343333"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.1228"
                           zFract="0.15000418"/>
                     <atom elementType="Cu"
                           id="a54"
                           x3="12.81018"
                           xFract="0.74343343"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.28107"
                           zFract="0.15000385"/>
                     <atom elementType="Cu"
                           id="a55"
                           x3="14.10815"
                           xFract="0.99343294"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.28107"
                           zFract="0.15000386"/>
                     <atom elementType="Cu"
                           id="a56"
                           x3="15.39644"
                           xFract="0.99343304"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.43935"
                           zFract="0.150004"/>
                     <atom elementType="Cu"
                           id="a57"
                           x3="8.80646"
                           xFract="0.57002169"
                           y3="5.06474"
                           yFract="0.56461589"
                           z3="6.05171"
                           zFract="0.25146583"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="11.38173"
                           xFract="0.81942597"
                           y3="5.05633"
                           yFract="0.56367834"
                           z3="6.18261"
                           zFract="0.25022078"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="10.08023"
                           xFract="0.56825226"
                           y3="7.31389"
                           yFract="0.81535054"
                           z3="6.15799"
                           zFract="0.24904508"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.66644"
                           xFract="0.81946928"
                           y3="7.29188"
                           yFract="0.81289687"
                           z3="6.30437"
                           zFract="0.24852106"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.95782"
                           xFract="0.64537263"
                           y3="5.71203"
                           yFract="0.6367756"
                           z3="8.20705"
                           zFract="0.34868592"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="12.55623"
                           xFract="0.89601473"
                           y3="5.72161"
                           yFract="0.63784358"
                           z3="8.38684"
                           zFract="0.3496492"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="11.23827"
                           xFract="0.64257188"
                           y3="7.99138"
                           yFract="0.89087694"
                           z3="8.34929"
                           zFract="0.34789096"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.83839"
                           xFract="0.89529177"
                           y3="7.96652"
                           yFract="0.88810556"
                           z3="8.43533"
                           zFract="0.34448655"/>
                     <atom elementType="Br"
                           id="a65"
                           x3="4.12582"
                           xFract="0.15303087"
                           y3="4.42616"
                           yFract="0.49342715"
                           z3="9.87839"
                           zFract="0.44646476"/>
                     <atom elementType="Br"
                           id="a66"
                           x3="7.15411"
                           xFract="0.29713674"
                           y3="7.10254"
                           yFract="0.79178929"
                           z3="10.14185"
                           zFract="0.44567878"/>
                     <atom elementType="Br"
                           id="a67"
                           x3="7.39022"
                           xFract="0.58060215"
                           y3="2.40892"
                           yFract="0.26854577"
                           z3="10.00586"
                           zFract="0.44642447"/>
                     <atom elementType="Br"
                           id="a68"
                           x3="11.24207"
                           xFract="0.97473317"
                           y3="2.01646"
                           yFract="0.22479443"
                           z3="10.18034"
                           zFract="0.44419202"/>
                     <atom elementType="Br"
                           id="a69"
                           x3="11.06744"
                           xFract="0.70715465"
                           y3="6.53101"
                           yFract="0.72807528"
                           z3="10.36805"
                           zFract="0.44600657"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a33" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a4 a33" order="S"/>
                     <bond atomRefs2="a4 a19" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a17" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a34" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a26" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a7 a33" order="S"/>
                     <bond atomRefs2="a7 a41" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a37" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a21" order="S"/>
                     <bond atomRefs2="a8 a26" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a34" order="S"/>
                     <bond atomRefs2="a8 a38" order="S"/>
                     <bond atomRefs2="a8 a37" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a23" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a25" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a26" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a29" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a16 a67" order="S"/>
                     <bond atomRefs2="a16 a43" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a26" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a30" order="S"/>
                     <bond atomRefs2="a16 a47" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a23" order="S"/>
                     <bond atomRefs2="a19 a34" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a27" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a26" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a23" order="S"/>
                     <bond atomRefs2="a22 a28" order="S"/>
                     <bond atomRefs2="a22 a24" order="S"/>
                     <bond atomRefs2="a22 a23" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a24" order="S"/>
                     <bond atomRefs2="a23 a59" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a57" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a30 a61" order="S"/>
                     <bond atomRefs2="a30 a47" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a66" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a61" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a33 a35" order="S"/>
                     <bond atomRefs2="a33 a34" order="S"/>
                     <bond atomRefs2="a33 a37" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a35" order="S"/>
                     <bond atomRefs2="a34 a38" order="S"/>
                     <bond atomRefs2="a34 a37" order="S"/>
                     <bond atomRefs2="a34 a36" order="S"/>
                     <bond atomRefs2="a35 a36" order="S"/>
                     <bond atomRefs2="a35 a39" order="S"/>
                     <bond atomRefs2="a35 a37" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a40" order="S"/>
                     <bond atomRefs2="a36 a39" order="S"/>
                     <bond atomRefs2="a36 a38" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a44" order="S"/>
                     <bond atomRefs2="a38 a40" order="S"/>
                     <bond atomRefs2="a38 a39" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a57" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a58" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a45 a67" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a46 a68" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a57" order="S"/>
                     <bond atomRefs2="a47 a61" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a47 a67" order="S"/>
                     <bond atomRefs2="a48 a68" order="S"/>
                     <bond atomRefs2="a48 a58" order="S"/>
                     <bond atomRefs2="a48 a62" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a61 a69" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a62 a69" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                     <bond atomRefs2="a63 a69" order="S"/>
                  </bondArray>
                  <formula concise="Br5Cu64">
                     <atomArray count="5 64" elementType="Br Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4466.463999999996</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.73">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">10.364410710831562</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">10.364412581405663</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.16843459"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.16843372"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.4184342"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.4184343"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.24343294"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.24343304"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.49343352"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.49343362"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.04993"
                           xFract="0.06962446"
                           y3="0.57385"
                           yFract="0.06397265"
                           z3="5.37815"
                           zFract="0.24958959"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="3.61215"
                           xFract="0.31780171"
                           y3="0.56482"
                           yFract="0.06296599"
                           z3="5.53399"
                           zFract="0.24955915"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="2.34764"
                           xFract="0.07026082"
                           y3="2.82135"
                           yFract="0.31452336"
                           z3="5.53147"
                           zFract="0.24932044"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.93138"
                           xFract="0.3192344"
                           y3="2.83544"
                           yFract="0.31609411"
                           z3="5.68175"
                           zFract="0.24892713"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.24325"
                           xFract="0.14914862"
                           y3="1.21903"
                           yFract="0.13589714"
                           z3="7.56688"
                           zFract="0.34826645"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="4.7954"
                           xFract="0.39610922"
                           y3="1.21438"
                           yFract="0.13537876"
                           z3="7.63447"
                           zFract="0.3440968"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="3.49549"
                           xFract="0.14666407"
                           y3="3.44358"
                           yFract="0.38388939"
                           z3="7.70586"
                           zFract="0.34749071"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.07235"
                           xFract="0.39519418"
                           y3="3.45368"
                           yFract="0.38501534"
                           z3="7.93219"
                           zFract="0.35070964"/>
                     <atom elementType="Cu"
                           id="a17"
                           x3="5.1870"
                           xFract="0.16843382"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a18"
                           x3="6.47529"
                           xFract="0.16843391"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a19"
                           x3="7.77327"
                           xFract="0.4184344"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a20"
                           x3="9.06156"
                           xFract="0.41843449"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="6.34936"
                           xFract="0.24343314"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="7.63765"
                           xFract="0.24343323"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="8.93563"
                           xFract="0.49343372"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="10.22391"
                           xFract="0.49343285"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="3.60446"
                           xFract="0.06686848"
                           y3="5.07022"
                           yFract="0.56522679"
                           z3="5.69264"
                           zFract="0.24953711"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.2198"
                           xFract="0.32088967"
                           y3="5.04842"
                           yFract="0.56279654"
                           z3="5.86648"
                           zFract="0.2502234"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.92743"
                           xFract="0.07159196"
                           y3="7.28809"
                           yFract="0.81247436"
                           z3="5.84386"
                           zFract="0.24914553"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.50146"
                           xFract="0.31998733"
                           y3="7.29569"
                           yFract="0.81332161"
                           z3="5.99918"
                           zFract="0.24902872"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.77712"
                           xFract="0.14290287"
                           y3="5.74228"
                           yFract="0.64014787"
                           z3="7.86232"
                           zFract="0.34733049"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="7.37564"
                           xFract="0.39637269"
                           y3="5.70113"
                           yFract="0.63556048"
                           z3="8.04555"
                           zFract="0.34854037"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.03836"
                           xFract="0.1419619"
                           y3="7.9547"
                           yFract="0.88678787"
                           z3="8.02904"
                           zFract="0.34785696"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.65954"
                           xFract="0.39446076"
                           y3="7.97048"
                           yFract="0.88854702"
                           z3="8.20256"
                           zFract="0.34844856"/>
                     <atom elementType="Cu"
                           id="a33"
                           x3="7.78295"
                           xFract="0.66843382"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a34"
                           x3="9.07124"
                           xFract="0.66843391"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a35"
                           x3="10.36922"
                           xFract="0.9184344"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a36"
                           x3="11.65751"
                           xFract="0.91843449"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a37"
                           x3="8.94531"
                           xFract="0.74343314"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a38"
                           x3="10.2336"
                           xFract="0.74343323"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a39"
                           x3="11.53158"
                           xFract="0.99343372"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a40"
                           x3="12.81986"
                           xFract="0.99343285"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a41"
                           x3="6.24718"
                           xFract="0.57235294"
                           y3="0.56775"
                           yFract="0.06329262"
                           z3="5.68358"
                           zFract="0.24900395"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="8.82283"
                           xFract="0.81948887"
                           y3="0.60085"
                           yFract="0.0669826"
                           z3="5.85293"
                           zFract="0.24950138"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="7.49634"
                           xFract="0.5675138"
                           y3="2.82934"
                           yFract="0.31541408"
                           z3="5.84819"
                           zFract="0.24938367"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.08959"
                           xFract="0.81856116"
                           y3="2.82264"
                           yFract="0.31466717"
                           z3="5.99962"
                           zFract="0.24905187"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.37783"
                           xFract="0.64694475"
                           y3="1.19266"
                           yFract="0.13295742"
                           z3="7.86929"
                           zFract="0.34775311"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="9.96184"
                           xFract="0.89577007"
                           y3="1.20989"
                           yFract="0.13487822"
                           z3="8.05248"
                           zFract="0.34890548"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="8.66422"
                           xFract="0.64436446"
                           y3="3.47838"
                           yFract="0.38776889"
                           z3="8.04006"
                           zFract="0.34827555"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.24672"
                           xFract="0.8930055"
                           y3="3.4963"
                           yFract="0.38976661"
                           z3="8.16771"
                           zFract="0.34681243"/>
                     <atom elementType="Cu"
                           id="a49"
                           x3="10.35953"
                           xFract="0.66843401"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.90692"
                           zFract="0.05000395"/>
                     <atom elementType="Cu"
                           id="a50"
                           x3="11.64782"
                           xFract="0.66843411"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.0652"
                           zFract="0.05000409"/>
                     <atom elementType="Cu"
                           id="a51"
                           x3="12.9458"
                           xFract="0.91843459"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="2.0652"
                           zFract="0.05000408"/>
                     <atom elementType="Cu"
                           id="a52"
                           x3="14.23408"
                           xFract="0.91843372"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.22348"
                           zFract="0.05000424"/>
                     <atom elementType="Cu"
                           id="a53"
                           x3="11.52189"
                           xFract="0.74343333"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.1228"
                           zFract="0.15000418"/>
                     <atom elementType="Cu"
                           id="a54"
                           x3="12.81018"
                           xFract="0.74343343"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.28107"
                           zFract="0.15000385"/>
                     <atom elementType="Cu"
                           id="a55"
                           x3="14.10815"
                           xFract="0.99343294"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.28107"
                           zFract="0.15000386"/>
                     <atom elementType="Cu"
                           id="a56"
                           x3="15.39644"
                           xFract="0.99343304"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.43935"
                           zFract="0.150004"/>
                     <atom elementType="Cu"
                           id="a57"
                           x3="8.80467"
                           xFract="0.56974759"
                           y3="5.06656"
                           yFract="0.56481878"
                           z3="6.04641"
                           zFract="0.25121806"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="11.38624"
                           xFract="0.81986193"
                           y3="5.05633"
                           yFract="0.56367834"
                           z3="6.17802"
                           zFract="0.24999135"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="10.07801"
                           xFract="0.56805211"
                           y3="7.31363"
                           yFract="0.81532155"
                           z3="6.16019"
                           zFract="0.24915565"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.66511"
                           xFract="0.81917413"
                           y3="7.29488"
                           yFract="0.81323131"
                           z3="6.30583"
                           zFract="0.24858872"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.95421"
                           xFract="0.645283"
                           y3="5.70736"
                           yFract="0.63625499"
                           z3="8.20657"
                           zFract="0.3486815"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="12.5600"
                           xFract="0.8961798"
                           y3="5.7252"
                           yFract="0.63824379"
                           z3="8.38346"
                           zFract="0.34947296"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="11.24135"
                           xFract="0.64272023"
                           y3="7.99407"
                           yFract="0.89117682"
                           z3="8.34778"
                           zFract="0.34780638"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.84332"
                           xFract="0.89560451"
                           y3="7.96947"
                           yFract="0.88843442"
                           z3="8.43256"
                           zFract="0.34433679"/>
                     <atom elementType="Br"
                           id="a65"
                           x3="4.12345"
                           xFract="0.15192383"
                           y3="4.44197"
                           yFract="0.49518965"
                           z3="9.87591"
                           zFract="0.44632827"/>
                     <atom elementType="Br"
                           id="a66"
                           x3="7.17657"
                           xFract="0.29862813"
                           y3="7.11478"
                           yFract="0.79315381"
                           z3="10.13738"
                           zFract="0.44538277"/>
                     <atom elementType="Br"
                           id="a67"
                           x3="7.38834"
                           xFract="0.57948861"
                           y3="2.4257"
                           yFract="0.2704164"
                           z3="10.00771"
                           zFract="0.4464891"/>
                     <atom elementType="Br"
                           id="a68"
                           x3="11.2395"
                           xFract="0.97516111"
                           y3="2.00428"
                           yFract="0.22343661"
                           z3="10.18278"
                           zFract="0.44433483"/>
                     <atom elementType="Br"
                           id="a69"
                           x3="11.07335"
                           xFract="0.70847172"
                           y3="6.51758"
                           yFract="0.72657811"
                           z3="10.36482"
                           zFract="0.44585966"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a33" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a4 a33" order="S"/>
                     <bond atomRefs2="a4 a19" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a17" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a34" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a26" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a33" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a41" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a37" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a21" order="S"/>
                     <bond atomRefs2="a8 a26" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a34" order="S"/>
                     <bond atomRefs2="a8 a38" order="S"/>
                     <bond atomRefs2="a8 a37" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a23" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a25" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a26" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a29" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a16 a67" order="S"/>
                     <bond atomRefs2="a16 a43" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a26" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a30" order="S"/>
                     <bond atomRefs2="a16 a47" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a23" order="S"/>
                     <bond atomRefs2="a19 a34" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a27" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a26" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a23" order="S"/>
                     <bond atomRefs2="a22 a28" order="S"/>
                     <bond atomRefs2="a22 a24" order="S"/>
                     <bond atomRefs2="a22 a23" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a24" order="S"/>
                     <bond atomRefs2="a23 a59" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a57" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a30 a61" order="S"/>
                     <bond atomRefs2="a30 a47" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a66" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a61" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a33 a35" order="S"/>
                     <bond atomRefs2="a33 a34" order="S"/>
                     <bond atomRefs2="a33 a37" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a35" order="S"/>
                     <bond atomRefs2="a34 a38" order="S"/>
                     <bond atomRefs2="a34 a37" order="S"/>
                     <bond atomRefs2="a34 a36" order="S"/>
                     <bond atomRefs2="a35 a36" order="S"/>
                     <bond atomRefs2="a35 a39" order="S"/>
                     <bond atomRefs2="a35 a37" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a40" order="S"/>
                     <bond atomRefs2="a36 a39" order="S"/>
                     <bond atomRefs2="a36 a38" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a44" order="S"/>
                     <bond atomRefs2="a38 a40" order="S"/>
                     <bond atomRefs2="a38 a39" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a57" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a58" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a45 a67" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a46 a68" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a57" order="S"/>
                     <bond atomRefs2="a47 a61" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a47 a67" order="S"/>
                     <bond atomRefs2="a48 a68" order="S"/>
                     <bond atomRefs2="a48 a58" order="S"/>
                     <bond atomRefs2="a48 a62" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a61 a69" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a62 a69" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                     <bond atomRefs2="a63 a69" order="S"/>
                  </bondArray>
                  <formula concise="Br5Cu64">
                     <atomArray count="5 64" elementType="Br Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4466.463999999996</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.74">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">10.364410710831562</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">10.364412581405663</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.16843459"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.16843372"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.4184342"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.4184343"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.24343294"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.24343304"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.49343352"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.49343362"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.05006"
                           xFract="0.06950042"
                           y3="0.57631"
                           yFract="0.06424689"
                           z3="5.37973"
                           zFract="0.2496596"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="3.61172"
                           xFract="0.31770128"
                           y3="0.56588"
                           yFract="0.06308415"
                           z3="5.53911"
                           zFract="0.24980002"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="2.34702"
                           xFract="0.07032583"
                           y3="2.8191"
                           yFract="0.31427253"
                           z3="5.52785"
                           zFract="0.2491553"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.93615"
                           xFract="0.3196283"
                           y3="2.83665"
                           yFract="0.316229"
                           z3="5.68201"
                           zFract="0.24892361"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.24123"
                           xFract="0.14878621"
                           y3="1.22204"
                           yFract="0.1362327"
                           z3="7.56547"
                           zFract="0.34820077"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="4.79876"
                           xFract="0.39649233"
                           y3="1.21333"
                           yFract="0.13526171"
                           z3="7.63849"
                           zFract="0.3442784"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="3.49388"
                           xFract="0.14631298"
                           y3="3.4471"
                           yFract="0.3842818"
                           z3="7.7044"
                           zFract="0.34742063"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.07703"
                           xFract="0.39571154"
                           y3="3.45251"
                           yFract="0.38488491"
                           z3="7.93213"
                           zFract="0.35069527"/>
                     <atom elementType="Cu"
                           id="a17"
                           x3="5.1870"
                           xFract="0.16843382"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a18"
                           x3="6.47529"
                           xFract="0.16843391"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a19"
                           x3="7.77327"
                           xFract="0.4184344"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a20"
                           x3="9.06156"
                           xFract="0.41843449"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="6.34936"
                           xFract="0.24343314"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="7.63765"
                           xFract="0.24343323"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="8.93563"
                           xFract="0.49343372"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="10.22391"
                           xFract="0.49343285"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="3.60612"
                           xFract="0.06686512"
                           y3="5.07317"
                           yFract="0.56555566"
                           z3="5.69184"
                           zFract="0.24948967"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.21787"
                           xFract="0.32061759"
                           y3="5.04996"
                           yFract="0.56296821"
                           z3="5.8677"
                           zFract="0.25028392"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.92779"
                           xFract="0.07170284"
                           y3="7.28672"
                           yFract="0.81232163"
                           z3="5.84821"
                           zFract="0.24935188"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.50131"
                           xFract="0.31977736"
                           y3="7.29921"
                           yFract="0.81371401"
                           z3="5.99986"
                           zFract="0.24905534"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.77779"
                           xFract="0.14312201"
                           y3="5.7395"
                           yFract="0.63983795"
                           z3="7.86752"
                           zFract="0.34757838"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="7.37637"
                           xFract="0.39630499"
                           y3="5.70362"
                           yFract="0.63583806"
                           z3="8.03863"
                           zFract="0.34820783"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.03616"
                           xFract="0.14189861"
                           y3="7.95201"
                           yFract="0.88648799"
                           z3="8.02283"
                           zFract="0.347575"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.66438"
                           xFract="0.3946926"
                           y3="7.97473"
                           yFract="0.88902081"
                           z3="8.20096"
                           zFract="0.34835205"/>
                     <atom elementType="Cu"
                           id="a33"
                           x3="7.78295"
                           xFract="0.66843382"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a34"
                           x3="9.07124"
                           xFract="0.66843391"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a35"
                           x3="10.36922"
                           xFract="0.9184344"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a36"
                           x3="11.65751"
                           xFract="0.91843449"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a37"
                           x3="8.94531"
                           xFract="0.74343314"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a38"
                           x3="10.2336"
                           xFract="0.74343323"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a39"
                           x3="11.53158"
                           xFract="0.99343372"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a40"
                           x3="12.81986"
                           xFract="0.99343285"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a41"
                           x3="6.24584"
                           xFract="0.57234447"
                           y3="0.56557"
                           yFract="0.0630496"
                           z3="5.68513"
                           zFract="0.24908454"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="8.82304"
                           xFract="0.81943253"
                           y3="0.60223"
                           yFract="0.06713644"
                           z3="5.85149"
                           zFract="0.24943058"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="7.49554"
                           xFract="0.56734706"
                           y3="2.83095"
                           yFract="0.31559356"
                           z3="5.84664"
                           zFract="0.24931021"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.09026"
                           xFract="0.81864702"
                           y3="2.82226"
                           yFract="0.3146248"
                           z3="5.99896"
                           zFract="0.24901946"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.37491"
                           xFract="0.64643092"
                           y3="1.19683"
                           yFract="0.13342229"
                           z3="7.8690"
                           zFract="0.3477409"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="9.96242"
                           xFract="0.89575339"
                           y3="1.2112"
                           yFract="0.13502426"
                           z3="8.05091"
                           zFract="0.34882759"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="8.66136"
                           xFract="0.64409799"
                           y3="3.4782"
                           yFract="0.38774882"
                           z3="8.0419"
                           zFract="0.34837086"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.24414"
                           xFract="0.89281941"
                           y3="3.49516"
                           yFract="0.38963952"
                           z3="8.16843"
                           zFract="0.34685573"/>
                     <atom elementType="Cu"
                           id="a49"
                           x3="10.35953"
                           xFract="0.66843401"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.90692"
                           zFract="0.05000395"/>
                     <atom elementType="Cu"
                           id="a50"
                           x3="11.64782"
                           xFract="0.66843411"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.0652"
                           zFract="0.05000409"/>
                     <atom elementType="Cu"
                           id="a51"
                           x3="12.9458"
                           xFract="0.91843459"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="2.0652"
                           zFract="0.05000408"/>
                     <atom elementType="Cu"
                           id="a52"
                           x3="14.23408"
                           xFract="0.91843372"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.22348"
                           zFract="0.05000424"/>
                     <atom elementType="Cu"
                           id="a53"
                           x3="11.52189"
                           xFract="0.74343333"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.1228"
                           zFract="0.15000418"/>
                     <atom elementType="Cu"
                           id="a54"
                           x3="12.81018"
                           xFract="0.74343343"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.28107"
                           zFract="0.15000385"/>
                     <atom elementType="Cu"
                           id="a55"
                           x3="14.10815"
                           xFract="0.99343294"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.28107"
                           zFract="0.15000386"/>
                     <atom elementType="Cu"
                           id="a56"
                           x3="15.39644"
                           xFract="0.99343304"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.43935"
                           zFract="0.150004"/>
                     <atom elementType="Cu"
                           id="a57"
                           x3="8.80362"
                           xFract="0.56958667"
                           y3="5.06763"
                           yFract="0.56493806"
                           z3="6.0433"
                           zFract="0.25107267"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="11.38888"
                           xFract="0.82011657"
                           y3="5.05634"
                           yFract="0.56367946"
                           z3="6.17533"
                           zFract="0.24985689"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="10.0767"
                           xFract="0.56793436"
                           y3="7.31347"
                           yFract="0.81530372"
                           z3="6.16148"
                           zFract="0.24922052"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.66433"
                           xFract="0.81900044"
                           y3="7.29665"
                           yFract="0.81342863"
                           z3="6.30669"
                           zFract="0.24862856"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.95209"
                           xFract="0.64523078"
                           y3="5.70461"
                           yFract="0.63594843"
                           z3="8.20628"
                           zFract="0.34867854"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="12.56222"
                           xFract="0.89627778"
                           y3="5.7273"
                           yFract="0.6384779"
                           z3="8.38147"
                           zFract="0.34936922"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="11.24316"
                           xFract="0.64280746"
                           y3="7.99565"
                           yFract="0.89135296"
                           z3="8.3469"
                           zFract="0.34775703"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.84621"
                           xFract="0.8957878"
                           y3="7.9712"
                           yFract="0.88862728"
                           z3="8.43093"
                           zFract="0.34424871"/>
                     <atom elementType="Br"
                           id="a65"
                           x3="4.12206"
                           xFract="0.15127413"
                           y3="4.45125"
                           yFract="0.49622418"
                           z3="9.87445"
                           zFract="0.44624794"/>
                     <atom elementType="Br"
                           id="a66"
                           x3="7.18975"
                           xFract="0.2995029"
                           y3="7.12197"
                           yFract="0.79395535"
                           z3="10.13476"
                           zFract="0.4452092"/>
                     <atom elementType="Br"
                           id="a67"
                           x3="7.38723"
                           xFract="0.57883489"
                           y3="2.43554"
                           yFract="0.27151336"
                           z3="10.0088"
                           zFract="0.44652726"/>
                     <atom elementType="Br"
                           id="a68"
                           x3="11.2380"
                           xFract="0.97541316"
                           y3="1.99713"
                           yFract="0.22263953"
                           z3="10.18421"
                           zFract="0.44441852"/>
                     <atom elementType="Br"
                           id="a69"
                           x3="11.07682"
                           xFract="0.70924529"
                           y3="6.50969"
                           yFract="0.72569853"
                           z3="10.36292"
                           zFract="0.44577324"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a33" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a4 a33" order="S"/>
                     <bond atomRefs2="a4 a19" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a17" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a34" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a26" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a33" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a41" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a37" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a21" order="S"/>
                     <bond atomRefs2="a8 a26" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a34" order="S"/>
                     <bond atomRefs2="a8 a38" order="S"/>
                     <bond atomRefs2="a8 a37" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a23" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a25" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a26" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a29" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a16 a67" order="S"/>
                     <bond atomRefs2="a16 a43" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a26" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a30" order="S"/>
                     <bond atomRefs2="a16 a47" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a23" order="S"/>
                     <bond atomRefs2="a19 a34" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a27" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a26" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a23" order="S"/>
                     <bond atomRefs2="a22 a28" order="S"/>
                     <bond atomRefs2="a22 a24" order="S"/>
                     <bond atomRefs2="a22 a23" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a24" order="S"/>
                     <bond atomRefs2="a23 a59" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a57" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a30 a61" order="S"/>
                     <bond atomRefs2="a30 a47" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a66" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a61" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a33 a35" order="S"/>
                     <bond atomRefs2="a33 a34" order="S"/>
                     <bond atomRefs2="a33 a37" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a35" order="S"/>
                     <bond atomRefs2="a34 a38" order="S"/>
                     <bond atomRefs2="a34 a37" order="S"/>
                     <bond atomRefs2="a34 a36" order="S"/>
                     <bond atomRefs2="a35 a36" order="S"/>
                     <bond atomRefs2="a35 a39" order="S"/>
                     <bond atomRefs2="a35 a37" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a40" order="S"/>
                     <bond atomRefs2="a36 a39" order="S"/>
                     <bond atomRefs2="a36 a38" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a44" order="S"/>
                     <bond atomRefs2="a38 a40" order="S"/>
                     <bond atomRefs2="a38 a39" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a57" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a58" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a45 a67" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a46 a68" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a57" order="S"/>
                     <bond atomRefs2="a47 a61" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a47 a67" order="S"/>
                     <bond atomRefs2="a48 a68" order="S"/>
                     <bond atomRefs2="a48 a58" order="S"/>
                     <bond atomRefs2="a48 a62" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a61 a69" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a62 a69" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                     <bond atomRefs2="a63 a69" order="S"/>
                  </bondArray>
                  <formula concise="Br5Cu64">
                     <atomArray count="5 64" elementType="Br Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4466.463999999996</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.75">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">10.364410710831562</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">10.364412581405663</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.16843459"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.16843372"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.4184342"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.4184343"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.24343294"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.24343304"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.49343352"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.49343362"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.04797"
                           xFract="0.06925452"
                           y3="0.5771"
                           yFract="0.06433496"
                           z3="5.3742"
                           zFract="0.24940358"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="3.61416"
                           xFract="0.31741126"
                           y3="0.57535"
                           yFract="0.06413987"
                           z3="5.53987"
                           zFract="0.249813"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="2.34958"
                           xFract="0.07032284"
                           y3="2.82361"
                           yFract="0.3147753"
                           z3="5.52406"
                           zFract="0.24896169"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.93706"
                           xFract="0.3197257"
                           y3="2.83648"
                           yFract="0.31621005"
                           z3="5.68418"
                           zFract="0.24902358"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.24099"
                           xFract="0.14848813"
                           y3="1.22699"
                           yFract="0.13678452"
                           z3="7.56616"
                           zFract="0.34822573"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="4.7999"
                           xFract="0.3961344"
                           y3="1.22176"
                           yFract="0.13620148"
                           z3="7.64589"
                           zFract="0.34460994"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="3.49496"
                           xFract="0.1463413"
                           y3="3.44847"
                           yFract="0.38443453"
                           z3="7.69559"
                           zFract="0.34699984"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.07723"
                           xFract="0.39572254"
                           y3="3.45266"
                           yFract="0.38490163"
                           z3="7.92911"
                           zFract="0.35055205"/>
                     <atom elementType="Cu"
                           id="a17"
                           x3="5.1870"
                           xFract="0.16843382"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a18"
                           x3="6.47529"
                           xFract="0.16843391"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a19"
                           x3="7.77327"
                           xFract="0.4184344"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a20"
                           x3="9.06156"
                           xFract="0.41843449"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="6.34936"
                           xFract="0.24343314"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="7.63765"
                           xFract="0.24343323"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="8.93563"
                           xFract="0.49343372"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="10.22391"
                           xFract="0.49343285"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="3.60955"
                           xFract="0.06696123"
                           y3="5.07741"
                           yFract="0.56602833"
                           z3="5.69155"
                           zFract="0.24945902"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.21526"
                           xFract="0.31997991"
                           y3="5.0569"
                           yFract="0.56374188"
                           z3="5.87046"
                           zFract="0.25041"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.93005"
                           xFract="0.07200571"
                           y3="7.2852"
                           yFract="0.81215218"
                           z3="5.84674"
                           zFract="0.24927859"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.50202"
                           xFract="0.31941396"
                           y3="7.30699"
                           yFract="0.81458133"
                           z3="5.9929"
                           zFract="0.24871213"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.78207"
                           xFract="0.14354129"
                           y3="5.7394"
                           yFract="0.63982681"
                           z3="7.87767"
                           zFract="0.34804476"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="7.38099"
                           xFract="0.39615184"
                           y3="5.71442"
                           yFract="0.63704204"
                           z3="8.03158"
                           zFract="0.34784406"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.04358"
                           xFract="0.14250314"
                           y3="7.95404"
                           yFract="0.88671429"
                           z3="8.02313"
                           zFract="0.34756435"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.66742"
                           xFract="0.39470492"
                           y3="7.9798"
                           yFract="0.88958601"
                           z3="8.19984"
                           zFract="0.34828201"/>
                     <atom elementType="Cu"
                           id="a33"
                           x3="7.78295"
                           xFract="0.66843382"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a34"
                           x3="9.07124"
                           xFract="0.66843391"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a35"
                           x3="10.36922"
                           xFract="0.9184344"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a36"
                           x3="11.65751"
                           xFract="0.91843449"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a37"
                           x3="8.94531"
                           xFract="0.74343314"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a38"
                           x3="10.2336"
                           xFract="0.74343323"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a39"
                           x3="11.53158"
                           xFract="0.99343372"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a40"
                           x3="12.81986"
                           xFract="0.99343285"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a41"
                           x3="6.24424"
                           xFract="0.57223035"
                           y3="0.56484"
                           yFract="0.06296821"
                           z3="5.68441"
                           zFract="0.24905643"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="8.81998"
                           xFract="0.81893405"
                           y3="0.60588"
                           yFract="0.06754334"
                           z3="5.85108"
                           zFract="0.24941398"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="7.49973"
                           xFract="0.56759938"
                           y3="2.8337"
                           yFract="0.31590013"
                           z3="5.84238"
                           zFract="0.24909267"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.08882"
                           xFract="0.81820018"
                           y3="2.8278"
                           yFract="0.3152424"
                           z3="6.00086"
                           zFract="0.24910394"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.3779"
                           xFract="0.64658334"
                           y3="1.19929"
                           yFract="0.13369653"
                           z3="7.87056"
                           zFract="0.34780171"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="9.95949"
                           xFract="0.89545572"
                           y3="1.21146"
                           yFract="0.13505324"
                           z3="8.04934"
                           zFract="0.34876158"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="8.66269"
                           xFract="0.64399055"
                           y3="3.48245"
                           yFract="0.38822261"
                           z3="8.04048"
                           zFract="0.34829297"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.24134"
                           xFract="0.89242769"
                           y3="3.49734"
                           yFract="0.38988254"
                           z3="8.16848"
                           zFract="0.34686252"/>
                     <atom elementType="Cu"
                           id="a49"
                           x3="10.35953"
                           xFract="0.66843401"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.90692"
                           zFract="0.05000395"/>
                     <atom elementType="Cu"
                           id="a50"
                           x3="11.64782"
                           xFract="0.66843411"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.0652"
                           zFract="0.05000409"/>
                     <atom elementType="Cu"
                           id="a51"
                           x3="12.9458"
                           xFract="0.91843459"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="2.0652"
                           zFract="0.05000408"/>
                     <atom elementType="Cu"
                           id="a52"
                           x3="14.23408"
                           xFract="0.91843372"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.22348"
                           zFract="0.05000424"/>
                     <atom elementType="Cu"
                           id="a53"
                           x3="11.52189"
                           xFract="0.74343333"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.1228"
                           zFract="0.15000418"/>
                     <atom elementType="Cu"
                           id="a54"
                           x3="12.81018"
                           xFract="0.74343343"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.28107"
                           zFract="0.15000385"/>
                     <atom elementType="Cu"
                           id="a55"
                           x3="14.10815"
                           xFract="0.99343294"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.28107"
                           zFract="0.15000386"/>
                     <atom elementType="Cu"
                           id="a56"
                           x3="15.39644"
                           xFract="0.99343304"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.43935"
                           zFract="0.150004"/>
                     <atom elementType="Cu"
                           id="a57"
                           x3="8.80513"
                           xFract="0.5697654"
                           y3="5.06704"
                           yFract="0.56487229"
                           z3="6.04054"
                           zFract="0.25093916"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="11.3903"
                           xFract="0.82021496"
                           y3="5.05704"
                           yFract="0.56375749"
                           z3="6.17833"
                           zFract="0.24999307"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="10.0760"
                           xFract="0.56804551"
                           y3="7.31025"
                           yFract="0.81494475"
                           z3="6.16076"
                           zFract="0.24919397"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.66486"
                           xFract="0.81876124"
                           y3="7.30188"
                           yFract="0.81401167"
                           z3="6.30365"
                           zFract="0.24847497"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.94981"
                           xFract="0.64515865"
                           y3="5.70194"
                           yFract="0.63565077"
                           z3="8.20516"
                           zFract="0.34863677"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="12.56387"
                           xFract="0.89616739"
                           y3="5.73216"
                           yFract="0.63901969"
                           z3="8.37673"
                           zFract="0.34913285"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="11.25047"
                           xFract="0.6436107"
                           y3="7.99391"
                           yFract="0.89115899"
                           z3="8.35261"
                           zFract="0.34800806"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.84463"
                           xFract="0.89524413"
                           y3="7.97824"
                           yFract="0.8894121"
                           z3="8.43088"
                           zFract="0.34423915"/>
                     <atom elementType="Br"
                           id="a65"
                           x3="4.11824"
                           xFract="0.15012966"
                           y3="4.46521"
                           yFract="0.49778044"
                           z3="9.87697"
                           zFract="0.44635447"/>
                     <atom elementType="Br"
                           id="a66"
                           x3="7.20803"
                           xFract="0.3006613"
                           y3="7.13293"
                           yFract="0.79517716"
                           z3="10.1261"
                           zFract="0.44472983"/>
                     <atom elementType="Br"
                           id="a67"
                           x3="7.38473"
                           xFract="0.57713775"
                           y3="2.46175"
                           yFract="0.27443524"
                           z3="10.01099"
                           zFract="0.44659396"/>
                     <atom elementType="Br"
                           id="a68"
                           x3="11.2346"
                           xFract="0.97574144"
                           y3="1.9853"
                           yFract="0.22132072"
                           z3="10.18526"
                           zFract="0.44449759"/>
                     <atom elementType="Br"
                           id="a69"
                           x3="11.08763"
                           xFract="0.71116707"
                           y3="6.4939"
                           yFract="0.72393827"
                           z3="10.35324"
                           zFract="0.44531201"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a33" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a4 a33" order="S"/>
                     <bond atomRefs2="a4 a19" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a17" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a34" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a26" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a33" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a41" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a37" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a21" order="S"/>
                     <bond atomRefs2="a8 a26" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a34" order="S"/>
                     <bond atomRefs2="a8 a38" order="S"/>
                     <bond atomRefs2="a8 a37" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a23" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a25" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a26" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a29" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a16 a67" order="S"/>
                     <bond atomRefs2="a16 a43" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a26" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a30" order="S"/>
                     <bond atomRefs2="a16 a47" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a23" order="S"/>
                     <bond atomRefs2="a19 a34" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a27" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a26" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a23" order="S"/>
                     <bond atomRefs2="a22 a28" order="S"/>
                     <bond atomRefs2="a22 a24" order="S"/>
                     <bond atomRefs2="a22 a23" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a24" order="S"/>
                     <bond atomRefs2="a23 a59" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a57" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a30 a61" order="S"/>
                     <bond atomRefs2="a30 a47" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a66" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a61" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a33 a35" order="S"/>
                     <bond atomRefs2="a33 a34" order="S"/>
                     <bond atomRefs2="a33 a37" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a35" order="S"/>
                     <bond atomRefs2="a34 a38" order="S"/>
                     <bond atomRefs2="a34 a37" order="S"/>
                     <bond atomRefs2="a34 a36" order="S"/>
                     <bond atomRefs2="a35 a36" order="S"/>
                     <bond atomRefs2="a35 a39" order="S"/>
                     <bond atomRefs2="a35 a37" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a40" order="S"/>
                     <bond atomRefs2="a36 a39" order="S"/>
                     <bond atomRefs2="a36 a38" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a44" order="S"/>
                     <bond atomRefs2="a38 a40" order="S"/>
                     <bond atomRefs2="a38 a39" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a57" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a58" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a45 a67" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a46 a68" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a57" order="S"/>
                     <bond atomRefs2="a47 a61" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a47 a67" order="S"/>
                     <bond atomRefs2="a48 a68" order="S"/>
                     <bond atomRefs2="a48 a58" order="S"/>
                     <bond atomRefs2="a48 a62" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a61 a69" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a62 a69" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                     <bond atomRefs2="a63 a69" order="S"/>
                  </bondArray>
                  <formula concise="Br5Cu64">
                     <atomArray count="5 64" elementType="Br Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4466.463999999996</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.76">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">10.364410710831562</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">10.364412581405663</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.16843459"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.16843372"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.4184342"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.4184343"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.24343294"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.24343304"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.49343352"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.49343362"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.04753"
                           xFract="0.06920311"
                           y3="0.57726"
                           yFract="0.06435279"
                           z3="5.37305"
                           zFract="0.24935036"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="3.61467"
                           xFract="0.31735116"
                           y3="0.57732"
                           yFract="0.06435948"
                           z3="5.54003"
                           zFract="0.24981578"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="2.35011"
                           xFract="0.07032188"
                           y3="2.82455"
                           yFract="0.31488009"
                           z3="5.52327"
                           zFract="0.24892134"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.93725"
                           xFract="0.31974629"
                           y3="2.83644"
                           yFract="0.31620559"
                           z3="5.68463"
                           zFract="0.24904431"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.24094"
                           xFract="0.1484261"
                           y3="1.22802"
                           yFract="0.13689935"
                           z3="7.5663"
                           zFract="0.34823076"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="4.80014"
                           xFract="0.39605986"
                           y3="1.22352"
                           yFract="0.13639769"
                           z3="7.64744"
                           zFract="0.34467939"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="3.49519"
                           xFract="0.14634742"
                           y3="3.44876"
                           yFract="0.38446686"
                           z3="7.69376"
                           zFract="0.34691241"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.07727"
                           xFract="0.39572474"
                           y3="3.45269"
                           yFract="0.38490497"
                           z3="7.92848"
                           zFract="0.35052218"/>
                     <atom elementType="Cu"
                           id="a17"
                           x3="5.1870"
                           xFract="0.16843382"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a18"
                           x3="6.47529"
                           xFract="0.16843391"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a19"
                           x3="7.77327"
                           xFract="0.4184344"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a20"
                           x3="9.06156"
                           xFract="0.41843449"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="6.34936"
                           xFract="0.24343314"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="7.63765"
                           xFract="0.24343323"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="8.93563"
                           xFract="0.49343372"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="10.22391"
                           xFract="0.49343285"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="3.61027"
                           xFract="0.06698196"
                           y3="5.07829"
                           yFract="0.56612644"
                           z3="5.69148"
                           zFract="0.24945217"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.21472"
                           xFract="0.31984775"
                           y3="5.05834"
                           yFract="0.56390242"
                           z3="5.87103"
                           zFract="0.25043603"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.93052"
                           xFract="0.07206891"
                           y3="7.28488"
                           yFract="0.81211651"
                           z3="5.84643"
                           zFract="0.24926315"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.50216"
                           xFract="0.31933809"
                           y3="7.3086"
                           yFract="0.81476081"
                           z3="5.99145"
                           zFract="0.24864067"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.78296"
                           xFract="0.14362843"
                           y3="5.73938"
                           yFract="0.63982458"
                           z3="7.87978"
                           zFract="0.34814171"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="7.38195"
                           xFract="0.39611969"
                           y3="5.71667"
                           yFract="0.63729287"
                           z3="8.03012"
                           zFract="0.34776869"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.04513"
                           xFract="0.14262909"
                           y3="7.95447"
                           yFract="0.88676223"
                           z3="8.0232"
                           zFract="0.34756246"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.66805"
                           xFract="0.39470696"
                           y3="7.98086"
                           yFract="0.88970418"
                           z3="8.1996"
                           zFract="0.3482671"/>
                     <atom elementType="Cu"
                           id="a33"
                           x3="7.78295"
                           xFract="0.66843382"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a34"
                           x3="9.07124"
                           xFract="0.66843391"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a35"
                           x3="10.36922"
                           xFract="0.9184344"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a36"
                           x3="11.65751"
                           xFract="0.91843449"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a37"
                           x3="8.94531"
                           xFract="0.74343314"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a38"
                           x3="10.2336"
                           xFract="0.74343323"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a39"
                           x3="11.53158"
                           xFract="0.99343372"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a40"
                           x3="12.81986"
                           xFract="0.99343285"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a41"
                           x3="6.24391"
                           xFract="0.57220678"
                           y3="0.56469"
                           yFract="0.06295149"
                           z3="5.68426"
                           zFract="0.24905056"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="8.81935"
                           xFract="0.81883095"
                           y3="0.60664"
                           yFract="0.06762807"
                           z3="5.8510"
                           zFract="0.24941076"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="7.5006"
                           xFract="0.56765182"
                           y3="2.83427"
                           yFract="0.31596368"
                           z3="5.84149"
                           zFract="0.24904725"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.08852"
                           xFract="0.81810732"
                           y3="2.82895"
                           yFract="0.3153706"
                           z3="6.00126"
                           zFract="0.24912175"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.37852"
                           xFract="0.6466144"
                           y3="1.19981"
                           yFract="0.1337545"
                           z3="7.87088"
                           zFract="0.34781415"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="9.95889"
                           xFract="0.89539495"
                           y3="1.21151"
                           yFract="0.13505882"
                           z3="8.04902"
                           zFract="0.34874814"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="8.66297"
                           xFract="0.64396819"
                           y3="3.48334"
                           yFract="0.38832183"
                           z3="8.04019"
                           zFract="0.348277"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.24076"
                           xFract="0.89234664"
                           y3="3.49779"
                           yFract="0.38993271"
                           z3="8.16849"
                           zFract="0.34686392"/>
                     <atom elementType="Cu"
                           id="a49"
                           x3="10.35953"
                           xFract="0.66843401"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.90692"
                           zFract="0.05000395"/>
                     <atom elementType="Cu"
                           id="a50"
                           x3="11.64782"
                           xFract="0.66843411"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.0652"
                           zFract="0.05000409"/>
                     <atom elementType="Cu"
                           id="a51"
                           x3="12.9458"
                           xFract="0.91843459"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="2.0652"
                           zFract="0.05000408"/>
                     <atom elementType="Cu"
                           id="a52"
                           x3="14.23408"
                           xFract="0.91843372"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.22348"
                           zFract="0.05000424"/>
                     <atom elementType="Cu"
                           id="a53"
                           x3="11.52189"
                           xFract="0.74343333"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.1228"
                           zFract="0.15000418"/>
                     <atom elementType="Cu"
                           id="a54"
                           x3="12.81018"
                           xFract="0.74343343"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.28107"
                           zFract="0.15000385"/>
                     <atom elementType="Cu"
                           id="a55"
                           x3="14.10815"
                           xFract="0.99343294"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.28107"
                           zFract="0.15000386"/>
                     <atom elementType="Cu"
                           id="a56"
                           x3="15.39644"
                           xFract="0.99343304"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.43935"
                           zFract="0.150004"/>
                     <atom elementType="Cu"
                           id="a57"
                           x3="8.80545"
                           xFract="0.569803"
                           y3="5.06692"
                           yFract="0.56485891"
                           z3="6.03997"
                           zFract="0.25091157"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="11.3906"
                           xFract="0.82023619"
                           y3="5.05718"
                           yFract="0.5637731"
                           z3="6.17895"
                           zFract="0.2500212"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="10.07585"
                           xFract="0.56806821"
                           y3="7.30958"
                           yFract="0.81487006"
                           z3="6.16062"
                           zFract="0.24918892"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.66497"
                           xFract="0.81871135"
                           y3="7.30297"
                           yFract="0.81413318"
                           z3="6.30302"
                           zFract="0.24844312"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.94934"
                           xFract="0.64514432"
                           y3="5.70138"
                           yFract="0.63558835"
                           z3="8.20493"
                           zFract="0.34862822"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="12.56421"
                           xFract="0.89614417"
                           y3="5.73317"
                           yFract="0.63913229"
                           z3="8.37575"
                           zFract="0.34908398"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="11.2520"
                           xFract="0.64377859"
                           y3="7.99355"
                           yFract="0.89111886"
                           z3="8.3538"
                           zFract="0.34806036"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.8443"
                           xFract="0.89513116"
                           y3="7.9797"
                           yFract="0.88957486"
                           z3="8.43088"
                           zFract="0.34423767"/>
                     <atom elementType="Br"
                           id="a65"
                           x3="4.11744"
                           xFract="0.14989129"
                           y3="4.46811"
                           yFract="0.49810373"
                           z3="9.87749"
                           zFract="0.44637645"/>
                     <atom elementType="Br"
                           id="a66"
                           x3="7.21183"
                           xFract="0.30090146"
                           y3="7.13522"
                           yFract="0.79543245"
                           z3="10.1243"
                           zFract="0.44463017"/>
                     <atom elementType="Br"
                           id="a67"
                           x3="7.38421"
                           xFract="0.57678429"
                           y3="2.46721"
                           yFract="0.27504392"
                           z3="10.01145"
                           zFract="0.44660803"/>
                     <atom elementType="Br"
                           id="a68"
                           x3="11.23389"
                           xFract="0.97580941"
                           y3="1.98284"
                           yFract="0.22104648"
                           z3="10.18548"
                           zFract="0.44451412"/>
                     <atom elementType="Br"
                           id="a69"
                           x3="11.08988"
                           xFract="0.71156671"
                           y3="6.49062"
                           yFract="0.72357261"
                           z3="10.35122"
                           zFract="0.44521575"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a33" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a4 a33" order="S"/>
                     <bond atomRefs2="a4 a19" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a17" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a34" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a26" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a7 a33" order="S"/>
                     <bond atomRefs2="a7 a41" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a37" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a21" order="S"/>
                     <bond atomRefs2="a8 a26" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a34" order="S"/>
                     <bond atomRefs2="a8 a38" order="S"/>
                     <bond atomRefs2="a8 a37" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a23" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a25" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a26" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a29" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a16 a67" order="S"/>
                     <bond atomRefs2="a16 a43" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a26" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a30" order="S"/>
                     <bond atomRefs2="a16 a47" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a23" order="S"/>
                     <bond atomRefs2="a19 a34" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a27" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a26" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a23" order="S"/>
                     <bond atomRefs2="a22 a28" order="S"/>
                     <bond atomRefs2="a22 a24" order="S"/>
                     <bond atomRefs2="a22 a23" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a24" order="S"/>
                     <bond atomRefs2="a23 a59" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a57" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a30 a61" order="S"/>
                     <bond atomRefs2="a30 a47" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a66" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a61" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a33 a35" order="S"/>
                     <bond atomRefs2="a33 a34" order="S"/>
                     <bond atomRefs2="a33 a37" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a35" order="S"/>
                     <bond atomRefs2="a34 a38" order="S"/>
                     <bond atomRefs2="a34 a37" order="S"/>
                     <bond atomRefs2="a34 a36" order="S"/>
                     <bond atomRefs2="a35 a36" order="S"/>
                     <bond atomRefs2="a35 a39" order="S"/>
                     <bond atomRefs2="a35 a37" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a40" order="S"/>
                     <bond atomRefs2="a36 a39" order="S"/>
                     <bond atomRefs2="a36 a38" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a44" order="S"/>
                     <bond atomRefs2="a38 a40" order="S"/>
                     <bond atomRefs2="a38 a39" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a57" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a58" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a45 a67" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a46 a68" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a57" order="S"/>
                     <bond atomRefs2="a47 a61" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a47 a67" order="S"/>
                     <bond atomRefs2="a48 a68" order="S"/>
                     <bond atomRefs2="a48 a58" order="S"/>
                     <bond atomRefs2="a48 a62" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a61 a69" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a62 a69" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                     <bond atomRefs2="a63 a69" order="S"/>
                  </bondArray>
                  <formula concise="Br5Cu64">
                     <atomArray count="5 64" elementType="Br Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4466.463999999996</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.77">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">10.364410710831562</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">10.364412581405663</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.16843459"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.16843372"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.4184342"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.4184343"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.24343294"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.24343304"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.49343352"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.49343362"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.0461"
                           xFract="0.06894382"
                           y3="0.57944"
                           yFract="0.06459582"
                           z3="5.37088"
                           zFract="0.24924853"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="3.61756"
                           xFract="0.31736453"
                           y3="0.58211"
                           yFract="0.06489347"
                           z3="5.53675"
                           zFract="0.24964479"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="2.34858"
                           xFract="0.06977027"
                           y3="2.83182"
                           yFract="0.31569055"
                           z3="5.52503"
                           zFract="0.24899659"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.9376"
                           xFract="0.31967239"
                           y3="2.83838"
                           yFract="0.31642186"
                           z3="5.68251"
                           zFract="0.24894011"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.24255"
                           xFract="0.14836849"
                           y3="1.23186"
                           yFract="0.13732743"
                           z3="7.56532"
                           zFract="0.34817349"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="4.80004"
                           xFract="0.3958575"
                           y3="1.22699"
                           yFract="0.13678452"
                           z3="7.64854"
                           zFract="0.34472575"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="3.49871"
                           xFract="0.1464489"
                           y3="3.45306"
                           yFract="0.38494622"
                           z3="7.69389"
                           zFract="0.3469012"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.07578"
                           xFract="0.3952342"
                           y3="3.45893"
                           yFract="0.38560061"
                           z3="7.92523"
                           zFract="0.35036282"/>
                     <atom elementType="Cu"
                           id="a17"
                           x3="5.1870"
                           xFract="0.16843382"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a18"
                           x3="6.47529"
                           xFract="0.16843391"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a19"
                           x3="7.77327"
                           xFract="0.4184344"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a20"
                           x3="9.06156"
                           xFract="0.41843449"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="6.34936"
                           xFract="0.24343314"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="7.63765"
                           xFract="0.24343323"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="8.93563"
                           xFract="0.49343372"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="10.22391"
                           xFract="0.49343285"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="3.6102"
                           xFract="0.06685358"
                           y3="5.08048"
                           yFract="0.56637058"
                           z3="5.69316"
                           zFract="0.24952793"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.21789"
                           xFract="0.32008421"
                           y3="5.0596"
                           yFract="0.56404288"
                           z3="5.87094"
                           zFract="0.25042053"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.92917"
                           xFract="0.0716602"
                           y3="7.28989"
                           yFract="0.81267502"
                           z3="5.8466"
                           zFract="0.2492667"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.50606"
                           xFract="0.31946464"
                           y3="7.31311"
                           yFract="0.81526358"
                           z3="5.98553"
                           zFract="0.24834276"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.7863"
                           xFract="0.14338876"
                           y3="5.74951"
                           yFract="0.64095387"
                           z3="7.8791"
                           zFract="0.3480831"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="7.38545"
                           xFract="0.39621757"
                           y3="5.7210"
                           yFract="0.63777558"
                           z3="8.02762"
                           zFract="0.34763349"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.04871"
                           xFract="0.14241928"
                           y3="7.96448"
                           yFract="0.88787814"
                           z3="8.02471"
                           zFract="0.3476066"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.67422"
                           xFract="0.39494964"
                           y3="7.98723"
                           yFract="0.8904143"
                           z3="8.19432"
                           zFract="0.34798971"/>
                     <atom elementType="Cu"
                           id="a33"
                           x3="7.78295"
                           xFract="0.66843382"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a34"
                           x3="9.07124"
                           xFract="0.66843391"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a35"
                           x3="10.36922"
                           xFract="0.9184344"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a36"
                           x3="11.65751"
                           xFract="0.91843449"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a37"
                           x3="8.94531"
                           xFract="0.74343314"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a38"
                           x3="10.2336"
                           xFract="0.74343323"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a39"
                           x3="11.53158"
                           xFract="0.99343372"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a40"
                           x3="12.81986"
                           xFract="0.99343285"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a41"
                           x3="6.24151"
                           xFract="0.57175821"
                           y3="0.56859"
                           yFract="0.06338626"
                           z3="5.68798"
                           zFract="0.24922637"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="8.81855"
                           xFract="0.81865588"
                           y3="0.6084"
                           yFract="0.06782427"
                           z3="5.85127"
                           zFract="0.24942286"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="7.49985"
                           xFract="0.56749047"
                           y3="2.83587"
                           yFract="0.31614204"
                           z3="5.84156"
                           zFract="0.24905004"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.08915"
                           xFract="0.81802329"
                           y3="2.83156"
                           yFract="0.31566157"
                           z3="6.00227"
                           zFract="0.24916319"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.38218"
                           xFract="0.64679993"
                           y3="1.20284"
                           yFract="0.13409229"
                           z3="7.87653"
                           zFract="0.34806492"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="9.95894"
                           xFract="0.8953759"
                           y3="1.21194"
                           yFract="0.13510675"
                           z3="8.04897"
                           zFract="0.34874492"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="8.66437"
                           xFract="0.64385475"
                           y3="3.48782"
                           yFract="0.38882126"
                           z3="8.0371"
                           zFract="0.34811979"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.2455"
                           xFract="0.89283037"
                           y3="3.49733"
                           yFract="0.38988143"
                           z3="8.17074"
                           zFract="0.34695709"/>
                     <atom elementType="Cu"
                           id="a49"
                           x3="10.35953"
                           xFract="0.66843401"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.90692"
                           zFract="0.05000395"/>
                     <atom elementType="Cu"
                           id="a50"
                           x3="11.64782"
                           xFract="0.66843411"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.0652"
                           zFract="0.05000409"/>
                     <atom elementType="Cu"
                           id="a51"
                           x3="12.9458"
                           xFract="0.91843459"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="2.0652"
                           zFract="0.05000408"/>
                     <atom elementType="Cu"
                           id="a52"
                           x3="14.23408"
                           xFract="0.91843372"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.22348"
                           zFract="0.05000424"/>
                     <atom elementType="Cu"
                           id="a53"
                           x3="11.52189"
                           xFract="0.74343333"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.1228"
                           zFract="0.15000418"/>
                     <atom elementType="Cu"
                           id="a54"
                           x3="12.81018"
                           xFract="0.74343343"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.28107"
                           zFract="0.15000385"/>
                     <atom elementType="Cu"
                           id="a55"
                           x3="14.10815"
                           xFract="0.99343294"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.28107"
                           zFract="0.15000386"/>
                     <atom elementType="Cu"
                           id="a56"
                           x3="15.39644"
                           xFract="0.99343304"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.43935"
                           zFract="0.150004"/>
                     <atom elementType="Cu"
                           id="a57"
                           x3="8.80588"
                           xFract="0.56972184"
                           y3="5.06913"
                           yFract="0.56510528"
                           z3="6.03875"
                           zFract="0.25084911"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="11.39122"
                           xFract="0.8201162"
                           y3="5.06042"
                           yFract="0.56413429"
                           z3="6.18189"
                           zFract="0.25015262"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="10.07761"
                           xFract="0.56812228"
                           y3="7.31167"
                           yFract="0.81510305"
                           z3="6.16148"
                           zFract="0.2492209"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.66725"
                           xFract="0.81883678"
                           y3="7.30468"
                           yFract="0.81432381"
                           z3="6.30003"
                           zFract="0.24829271"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.9513"
                           xFract="0.64506446"
                           y3="5.70623"
                           yFract="0.63612902"
                           z3="8.20308"
                           zFract="0.34852723"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="12.56879"
                           xFract="0.89662354"
                           y3="5.73251"
                           yFract="0.63905871"
                           z3="8.37044"
                           zFract="0.3488215"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="11.25244"
                           xFract="0.64357067"
                           y3="7.99806"
                           yFract="0.89162163"
                           z3="8.3556"
                           zFract="0.34813643"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.84715"
                           xFract="0.89534168"
                           y3="7.98087"
                           yFract="0.88970529"
                           z3="8.43077"
                           zFract="0.3442223"/>
                     <atom elementType="Br"
                           id="a65"
                           x3="4.11161"
                           xFract="0.1491828"
                           y3="4.47072"
                           yFract="0.49839469"
                           z3="9.88108"
                           zFract="0.44655818"/>
                     <atom elementType="Br"
                           id="a66"
                           x3="7.21926"
                           xFract="0.3014964"
                           y3="7.13744"
                           yFract="0.79567994"
                           z3="10.12269"
                           zFract="0.44452911"/>
                     <atom elementType="Br"
                           id="a67"
                           x3="7.38298"
                           xFract="0.57534264"
                           y3="2.49103"
                           yFract="0.27769937"
                           z3="10.00982"
                           zFract="0.44649494"/>
                     <atom elementType="Br"
                           id="a68"
                           x3="11.2301"
                           xFract="0.97585787"
                           y3="1.97537"
                           yFract="0.22021373"
                           z3="10.18101"
                           zFract="0.44432678"/>
                     <atom elementType="Br"
                           id="a69"
                           x3="11.0970"
                           xFract="0.71289912"
                           y3="6.47902"
                           yFract="0.72227945"
                           z3="10.35071"
                           zFract="0.44519053"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a33" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a4 a33" order="S"/>
                     <bond atomRefs2="a4 a19" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a17" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a34" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a26" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a33" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a41" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a37" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a21" order="S"/>
                     <bond atomRefs2="a8 a26" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a34" order="S"/>
                     <bond atomRefs2="a8 a38" order="S"/>
                     <bond atomRefs2="a8 a37" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a23" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a25" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a26" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a29" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a16 a67" order="S"/>
                     <bond atomRefs2="a16 a43" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a26" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a30" order="S"/>
                     <bond atomRefs2="a16 a47" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a23" order="S"/>
                     <bond atomRefs2="a19 a34" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a27" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a26" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a23" order="S"/>
                     <bond atomRefs2="a22 a28" order="S"/>
                     <bond atomRefs2="a22 a24" order="S"/>
                     <bond atomRefs2="a22 a23" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a24" order="S"/>
                     <bond atomRefs2="a23 a59" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a57" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a30 a61" order="S"/>
                     <bond atomRefs2="a30 a47" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a66" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a61" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a33 a35" order="S"/>
                     <bond atomRefs2="a33 a34" order="S"/>
                     <bond atomRefs2="a33 a37" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a35" order="S"/>
                     <bond atomRefs2="a34 a38" order="S"/>
                     <bond atomRefs2="a34 a37" order="S"/>
                     <bond atomRefs2="a34 a36" order="S"/>
                     <bond atomRefs2="a35 a36" order="S"/>
                     <bond atomRefs2="a35 a39" order="S"/>
                     <bond atomRefs2="a35 a37" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a40" order="S"/>
                     <bond atomRefs2="a36 a39" order="S"/>
                     <bond atomRefs2="a36 a38" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a44" order="S"/>
                     <bond atomRefs2="a38 a40" order="S"/>
                     <bond atomRefs2="a38 a39" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a57" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a58" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a45 a67" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a46 a68" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a57" order="S"/>
                     <bond atomRefs2="a47 a61" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a47 a67" order="S"/>
                     <bond atomRefs2="a48 a68" order="S"/>
                     <bond atomRefs2="a48 a58" order="S"/>
                     <bond atomRefs2="a48 a62" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a61 a69" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a62 a69" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                     <bond atomRefs2="a63 a69" order="S"/>
                  </bondArray>
                  <formula concise="Br5Cu64">
                     <atomArray count="5 64" elementType="Br Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4466.463999999996</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.78">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">10.364410710831562</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">10.364412581405663</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.16843459"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.16843372"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.4184342"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.4184343"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.24343294"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.24343304"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.49343352"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.49343362"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.04448"
                           xFract="0.06865117"
                           y3="0.58189"
                           yFract="0.06486894"
                           z3="5.36843"
                           zFract="0.2491336"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="3.62081"
                           xFract="0.31737938"
                           y3="0.5875"
                           yFract="0.06549435"
                           z3="5.53306"
                           zFract="0.24945243"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="2.34686"
                           xFract="0.06914921"
                           y3="2.84001"
                           yFract="0.31660357"
                           z3="5.52702"
                           zFract="0.24908171"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.9380"
                           xFract="0.31959056"
                           y3="2.84055"
                           yFract="0.31666377"
                           z3="5.68011"
                           zFract="0.24882217"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.24436"
                           xFract="0.148303"
                           y3="1.23619"
                           yFract="0.13781014"
                           z3="7.56421"
                           zFract="0.3481087"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="4.79993"
                           xFract="0.39562919"
                           y3="1.23091"
                           yFract="0.13722152"
                           z3="7.64978"
                           zFract="0.34477798"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="3.50267"
                           xFract="0.14656237"
                           y3="3.45791"
                           yFract="0.3854869"
                           z3="7.69404"
                           zFract="0.34688875"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.07411"
                           xFract="0.39468183"
                           y3="3.46597"
                           yFract="0.38638543"
                           z3="7.92156"
                           zFract="0.35018284"/>
                     <atom elementType="Cu"
                           id="a17"
                           x3="5.1870"
                           xFract="0.16843382"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a18"
                           x3="6.47529"
                           xFract="0.16843391"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a19"
                           x3="7.77327"
                           xFract="0.4184344"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a20"
                           x3="9.06156"
                           xFract="0.41843449"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="6.34936"
                           xFract="0.24343314"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="7.63765"
                           xFract="0.24343323"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="8.93563"
                           xFract="0.49343372"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="10.22391"
                           xFract="0.49343285"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="3.61013"
                           xFract="0.0667091"
                           y3="5.08296"
                           yFract="0.56664705"
                           z3="5.69505"
                           zFract="0.2496131"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.22146"
                           xFract="0.320351"
                           y3="5.06101"
                           yFract="0.56420007"
                           z3="5.87084"
                           zFract="0.25040316"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.92764"
                           xFract="0.07119856"
                           y3="7.29554"
                           yFract="0.81330488"
                           z3="5.84678"
                           zFract="0.24927016"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.51045"
                           xFract="0.31960745"
                           y3="7.31818"
                           yFract="0.81582878"
                           z3="5.97886"
                           zFract="0.24800714"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.79007"
                           xFract="0.14311902"
                           y3="5.76093"
                           yFract="0.64222696"
                           z3="7.87834"
                           zFract="0.34801731"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="7.38939"
                           xFract="0.39632744"
                           y3="5.72588"
                           yFract="0.6383196"
                           z3="8.0248"
                           zFract="0.34748101"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.05274"
                           xFract="0.14218189"
                           y3="7.97577"
                           yFract="0.88913675"
                           z3="8.0264"
                           zFract="0.3476558"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.68117"
                           xFract="0.39522331"
                           y3="7.9944"
                           yFract="0.89121361"
                           z3="8.18836"
                           zFract="0.34767667"/>
                     <atom elementType="Cu"
                           id="a33"
                           x3="7.78295"
                           xFract="0.66843382"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a34"
                           x3="9.07124"
                           xFract="0.66843391"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a35"
                           x3="10.36922"
                           xFract="0.9184344"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a36"
                           x3="11.65751"
                           xFract="0.91843449"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a37"
                           x3="8.94531"
                           xFract="0.74343314"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a38"
                           x3="10.2336"
                           xFract="0.74343323"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a39"
                           x3="11.53158"
                           xFract="0.99343372"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a40"
                           x3="12.81986"
                           xFract="0.99343285"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a41"
                           x3="6.23882"
                           xFract="0.5712544"
                           y3="0.57298"
                           yFract="0.06387566"
                           z3="5.69218"
                           zFract="0.24942483"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="8.81766"
                           xFract="0.81845934"
                           y3="0.61039"
                           yFract="0.06804612"
                           z3="5.85158"
                           zFract="0.24943672"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="7.49901"
                           xFract="0.56730988"
                           y3="2.83766"
                           yFract="0.31634159"
                           z3="5.84165"
                           zFract="0.24905372"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.08987"
                           xFract="0.81792962"
                           y3="2.8345"
                           yFract="0.31598932"
                           z3="6.0034"
                           zFract="0.24920948"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.38629"
                           xFract="0.64700731"
                           y3="1.20626"
                           yFract="0.13447355"
                           z3="7.8829"
                           zFract="0.34834769"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="9.95901"
                           xFract="0.89535601"
                           y3="1.21242"
                           yFract="0.13516026"
                           z3="8.04892"
                           zFract="0.34874156"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="8.66595"
                           xFract="0.64372649"
                           y3="3.49288"
                           yFract="0.38938535"
                           z3="8.03362"
                           zFract="0.3479427"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.25085"
                           xFract="0.8933764"
                           y3="3.49681"
                           yFract="0.38982346"
                           z3="8.17328"
                           zFract="0.34706228"/>
                     <atom elementType="Cu"
                           id="a49"
                           x3="10.35953"
                           xFract="0.66843401"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.90692"
                           zFract="0.05000395"/>
                     <atom elementType="Cu"
                           id="a50"
                           x3="11.64782"
                           xFract="0.66843411"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.0652"
                           zFract="0.05000409"/>
                     <atom elementType="Cu"
                           id="a51"
                           x3="12.9458"
                           xFract="0.91843459"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="2.0652"
                           zFract="0.05000408"/>
                     <atom elementType="Cu"
                           id="a52"
                           x3="14.23408"
                           xFract="0.91843372"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.22348"
                           zFract="0.05000424"/>
                     <atom elementType="Cu"
                           id="a53"
                           x3="11.52189"
                           xFract="0.74343333"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.1228"
                           zFract="0.15000418"/>
                     <atom elementType="Cu"
                           id="a54"
                           x3="12.81018"
                           xFract="0.74343343"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.28107"
                           zFract="0.15000385"/>
                     <atom elementType="Cu"
                           id="a55"
                           x3="14.10815"
                           xFract="0.99343294"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.28107"
                           zFract="0.15000386"/>
                     <atom elementType="Cu"
                           id="a56"
                           x3="15.39644"
                           xFract="0.99343304"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.43935"
                           zFract="0.150004"/>
                     <atom elementType="Cu"
                           id="a57"
                           x3="8.80637"
                           xFract="0.56963093"
                           y3="5.07162"
                           yFract="0.56538287"
                           z3="6.03738"
                           zFract="0.25077894"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="11.39193"
                           xFract="0.8199827"
                           y3="5.06406"
                           yFract="0.56454008"
                           z3="6.18519"
                           zFract="0.25030009"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="10.0796"
                           xFract="0.56818359"
                           y3="7.31403"
                           yFract="0.81536614"
                           z3="6.16245"
                           zFract="0.24925695"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.66983"
                           xFract="0.81897956"
                           y3="7.3066"
                           yFract="0.81453785"
                           z3="6.29666"
                           zFract="0.24812317"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.95352"
                           xFract="0.6449753"
                           y3="5.7117"
                           yFract="0.63673882"
                           z3="8.20099"
                           zFract="0.34841315"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="12.57394"
                           xFract="0.89716301"
                           y3="5.73176"
                           yFract="0.6389751"
                           z3="8.36445"
                           zFract="0.34852547"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="11.25295"
                           xFract="0.64333843"
                           y3="8.00313"
                           yFract="0.89218683"
                           z3="8.35763"
                           zFract="0.3482222"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.85037"
                           xFract="0.89557909"
                           y3="7.9822"
                           yFract="0.88985356"
                           z3="8.43066"
                           zFract="0.3442056"/>
                     <atom elementType="Br"
                           id="a65"
                           x3="4.10503"
                           xFract="0.14838293"
                           y3="4.47367"
                           yFract="0.49872356"
                           z3="9.88511"
                           zFract="0.44676225"/>
                     <atom elementType="Br"
                           id="a66"
                           x3="7.22764"
                           xFract="0.30216762"
                           y3="7.13994"
                           yFract="0.79595864"
                           z3="10.12088"
                           zFract="0.44441542"/>
                     <atom elementType="Br"
                           id="a67"
                           x3="7.3816"
                           xFract="0.57371879"
                           y3="2.51787"
                           yFract="0.28069149"
                           z3="10.00799"
                           zFract="0.44636781"/>
                     <atom elementType="Br"
                           id="a68"
                           x3="11.22582"
                           xFract="0.97591172"
                           y3="1.96695"
                           yFract="0.21927507"
                           z3="10.17596"
                           zFract="0.44411508"/>
                     <atom elementType="Br"
                           id="a69"
                           x3="11.10503"
                           xFract="0.71440113"
                           y3="6.46595"
                           yFract="0.72082241"
                           z3="10.35013"
                           zFract="0.44516184"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a33" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a4 a33" order="S"/>
                     <bond atomRefs2="a4 a19" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a17" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a34" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a26" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a33" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a41" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a37" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a21" order="S"/>
                     <bond atomRefs2="a8 a26" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a34" order="S"/>
                     <bond atomRefs2="a8 a38" order="S"/>
                     <bond atomRefs2="a8 a37" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a23" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a25" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a26" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a29" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a16 a67" order="S"/>
                     <bond atomRefs2="a16 a43" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a26" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a30" order="S"/>
                     <bond atomRefs2="a16 a47" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a23" order="S"/>
                     <bond atomRefs2="a19 a34" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a27" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a26" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a23" order="S"/>
                     <bond atomRefs2="a22 a28" order="S"/>
                     <bond atomRefs2="a22 a24" order="S"/>
                     <bond atomRefs2="a22 a23" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a24" order="S"/>
                     <bond atomRefs2="a23 a59" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a57" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a30 a61" order="S"/>
                     <bond atomRefs2="a30 a47" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a66" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a61" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a33 a35" order="S"/>
                     <bond atomRefs2="a33 a34" order="S"/>
                     <bond atomRefs2="a33 a37" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a35" order="S"/>
                     <bond atomRefs2="a34 a38" order="S"/>
                     <bond atomRefs2="a34 a37" order="S"/>
                     <bond atomRefs2="a34 a36" order="S"/>
                     <bond atomRefs2="a35 a36" order="S"/>
                     <bond atomRefs2="a35 a39" order="S"/>
                     <bond atomRefs2="a35 a37" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a40" order="S"/>
                     <bond atomRefs2="a36 a39" order="S"/>
                     <bond atomRefs2="a36 a38" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a44" order="S"/>
                     <bond atomRefs2="a38 a40" order="S"/>
                     <bond atomRefs2="a38 a39" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a57" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a58" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a45 a67" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a46 a68" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a57" order="S"/>
                     <bond atomRefs2="a47 a61" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a47 a67" order="S"/>
                     <bond atomRefs2="a48 a68" order="S"/>
                     <bond atomRefs2="a48 a58" order="S"/>
                     <bond atomRefs2="a48 a62" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a61 a69" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a62 a69" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                     <bond atomRefs2="a63 a69" order="S"/>
                  </bondArray>
                  <formula concise="Br5Cu64">
                     <atomArray count="5 64" elementType="Br Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4466.463999999996</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.79">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">10.364410710831562</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">10.364412581405663</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.16843459"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.16843372"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.4184342"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.4184343"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.24343294"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.24343304"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.49343352"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.49343362"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.04515"
                           xFract="0.06877258"
                           y3="0.58087"
                           yFract="0.06475524"
                           z3="5.36944"
                           zFract="0.24918099"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="3.61946"
                           xFract="0.31737271"
                           y3="0.58527"
                           yFract="0.06524575"
                           z3="5.53459"
                           zFract="0.24953219"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="2.34757"
                           xFract="0.06940609"
                           y3="2.83662"
                           yFract="0.31622565"
                           z3="5.5262"
                           zFract="0.24904666"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.93784"
                           xFract="0.31962507"
                           y3="2.83965"
                           yFract="0.31656344"
                           z3="5.68111"
                           zFract="0.24887128"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.24361"
                           xFract="0.1483299"
                           y3="1.2344"
                           yFract="0.13761059"
                           z3="7.56467"
                           zFract="0.34813554"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="4.79998"
                           xFract="0.39572398"
                           y3="1.22929"
                           yFract="0.13704093"
                           z3="7.64927"
                           zFract="0.3447565"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="3.50103"
                           xFract="0.1465149"
                           y3="3.45591"
                           yFract="0.38526394"
                           z3="7.69398"
                           zFract="0.34689399"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.0748"
                           xFract="0.39491012"
                           y3="3.46306"
                           yFract="0.38606102"
                           z3="7.92308"
                           zFract="0.35025738"/>
                     <atom elementType="Cu"
                           id="a17"
                           x3="5.1870"
                           xFract="0.16843382"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a18"
                           x3="6.47529"
                           xFract="0.16843391"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a19"
                           x3="7.77327"
                           xFract="0.4184344"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a20"
                           x3="9.06156"
                           xFract="0.41843449"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="6.34936"
                           xFract="0.24343314"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="7.63765"
                           xFract="0.24343323"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="8.93563"
                           xFract="0.49343372"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="10.22391"
                           xFract="0.49343285"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="3.61016"
                           xFract="0.0667692"
                           y3="5.08193"
                           yFract="0.56653222"
                           z3="5.69426"
                           zFract="0.24957748"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.21998"
                           xFract="0.32024015"
                           y3="5.06043"
                           yFract="0.56413541"
                           z3="5.87088"
                           zFract="0.25041028"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.92827"
                           xFract="0.0713894"
                           y3="7.2932"
                           yFract="0.81304402"
                           z3="5.8467"
                           zFract="0.24926848"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.50863"
                           xFract="0.31954814"
                           y3="7.31608"
                           yFract="0.81559468"
                           z3="5.98162"
                           zFract="0.24814603"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.78851"
                           xFract="0.14323088"
                           y3="5.7562"
                           yFract="0.64169966"
                           z3="7.87866"
                           zFract="0.3480448"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="7.38776"
                           xFract="0.39628205"
                           y3="5.72386"
                           yFract="0.63809441"
                           z3="8.02596"
                           zFract="0.34754378"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.05107"
                           xFract="0.14227979"
                           y3="7.9711"
                           yFract="0.88861614"
                           z3="8.0257"
                           zFract="0.34763542"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.67829"
                           xFract="0.39510984"
                           y3="7.99143"
                           yFract="0.89088252"
                           z3="8.19083"
                           zFract="0.3478064"/>
                     <atom elementType="Cu"
                           id="a33"
                           x3="7.78295"
                           xFract="0.66843382"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a34"
                           x3="9.07124"
                           xFract="0.66843391"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a35"
                           x3="10.36922"
                           xFract="0.9184344"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a36"
                           x3="11.65751"
                           xFract="0.91843449"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a37"
                           x3="8.94531"
                           xFract="0.74343314"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a38"
                           x3="10.2336"
                           xFract="0.74343323"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a39"
                           x3="11.53158"
                           xFract="0.99343372"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a40"
                           x3="12.81986"
                           xFract="0.99343285"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a41"
                           x3="6.23993"
                           xFract="0.57146276"
                           y3="0.57116"
                           yFract="0.06367277"
                           z3="5.69044"
                           zFract="0.24934262"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="8.81803"
                           xFract="0.81854065"
                           y3="0.60957"
                           yFract="0.0679547"
                           z3="5.85145"
                           zFract="0.24943089"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="7.49936"
                           xFract="0.5673848"
                           y3="2.83692"
                           yFract="0.3162591"
                           z3="5.84161"
                           zFract="0.24905206"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.08957"
                           xFract="0.81796837"
                           y3="2.83328"
                           yFract="0.31585331"
                           z3="6.00293"
                           zFract="0.24919023"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.38459"
                           xFract="0.64692128"
                           y3="1.20485"
                           yFract="0.13431636"
                           z3="7.88026"
                           zFract="0.34823048"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="9.95898"
                           xFract="0.89536422"
                           y3="1.21222"
                           yFract="0.13513797"
                           z3="8.04894"
                           zFract="0.34874293"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="8.6653"
                           xFract="0.64377972"
                           y3="3.49079"
                           yFract="0.38915235"
                           z3="8.03506"
                           zFract="0.34801596"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.24863"
                           xFract="0.89315014"
                           y3="3.49702"
                           yFract="0.38984687"
                           z3="8.17223"
                           zFract="0.34701883"/>
                     <atom elementType="Cu"
                           id="a49"
                           x3="10.35953"
                           xFract="0.66843401"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.90692"
                           zFract="0.05000395"/>
                     <atom elementType="Cu"
                           id="a50"
                           x3="11.64782"
                           xFract="0.66843411"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.0652"
                           zFract="0.05000409"/>
                     <atom elementType="Cu"
                           id="a51"
                           x3="12.9458"
                           xFract="0.91843459"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="2.0652"
                           zFract="0.05000408"/>
                     <atom elementType="Cu"
                           id="a52"
                           x3="14.23408"
                           xFract="0.91843372"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.22348"
                           zFract="0.05000424"/>
                     <atom elementType="Cu"
                           id="a53"
                           x3="11.52189"
                           xFract="0.74343333"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.1228"
                           zFract="0.15000418"/>
                     <atom elementType="Cu"
                           id="a54"
                           x3="12.81018"
                           xFract="0.74343343"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.28107"
                           zFract="0.15000385"/>
                     <atom elementType="Cu"
                           id="a55"
                           x3="14.10815"
                           xFract="0.99343294"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.28107"
                           zFract="0.15000386"/>
                     <atom elementType="Cu"
                           id="a56"
                           x3="15.39644"
                           xFract="0.99343304"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.43935"
                           zFract="0.150004"/>
                     <atom elementType="Cu"
                           id="a57"
                           x3="8.80617"
                           xFract="0.5696688"
                           y3="5.07059"
                           yFract="0.56526804"
                           z3="6.03795"
                           zFract="0.25080812"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="11.39163"
                           xFract="0.82003755"
                           y3="5.06255"
                           yFract="0.56437174"
                           z3="6.18382"
                           zFract="0.25023888"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="10.07878"
                           xFract="0.56815875"
                           y3="7.31305"
                           yFract="0.81525689"
                           z3="6.16205"
                           zFract="0.24924209"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.66876"
                           xFract="0.81892"
                           y3="7.30581"
                           yFract="0.81444978"
                           z3="6.29805"
                           zFract="0.24819311"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.9526"
                           xFract="0.64501186"
                           y3="5.70944"
                           yFract="0.63648687"
                           z3="8.20186"
                           zFract="0.3484606"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="12.57181"
                           xFract="0.8969399"
                           y3="5.73207"
                           yFract="0.63900966"
                           z3="8.36693"
                           zFract="0.34864803"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="11.25274"
                           xFract="0.64343475"
                           y3="8.00103"
                           yFract="0.89195272"
                           z3="8.35679"
                           zFract="0.34818671"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.84904"
                           xFract="0.89548106"
                           y3="7.98165"
                           yFract="0.88979225"
                           z3="8.43071"
                           zFract="0.34421272"/>
                     <atom elementType="Br"
                           id="a65"
                           x3="4.10775"
                           xFract="0.1487136"
                           y3="4.47245"
                           yFract="0.49858755"
                           z3="9.88344"
                           zFract="0.4466777"/>
                     <atom elementType="Br"
                           id="a66"
                           x3="7.22417"
                           xFract="0.30188995"
                           y3="7.1389"
                           yFract="0.7958427"
                           z3="10.12163"
                           zFract="0.44446253"/>
                     <atom elementType="Br"
                           id="a67"
                           x3="7.38217"
                           xFract="0.57439084"
                           y3="2.50676"
                           yFract="0.27945295"
                           z3="10.00875"
                           zFract="0.44642056"/>
                     <atom elementType="Br"
                           id="a68"
                           x3="11.22759"
                           xFract="0.97588956"
                           y3="1.97043"
                           yFract="0.21966302"
                           z3="10.17805"
                           zFract="0.44420271"/>
                     <atom elementType="Br"
                           id="a69"
                           x3="11.10171"
                           xFract="0.71377978"
                           y3="6.47136"
                           yFract="0.72142551"
                           z3="10.35037"
                           zFract="0.4451737"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a33" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a4 a33" order="S"/>
                     <bond atomRefs2="a4 a19" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a17" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a34" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a26" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a33" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a41" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a37" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a21" order="S"/>
                     <bond atomRefs2="a8 a26" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a34" order="S"/>
                     <bond atomRefs2="a8 a38" order="S"/>
                     <bond atomRefs2="a8 a37" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a23" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a25" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a26" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a29" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a16 a67" order="S"/>
                     <bond atomRefs2="a16 a43" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a26" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a30" order="S"/>
                     <bond atomRefs2="a16 a47" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a23" order="S"/>
                     <bond atomRefs2="a19 a34" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a27" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a26" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a23" order="S"/>
                     <bond atomRefs2="a22 a28" order="S"/>
                     <bond atomRefs2="a22 a24" order="S"/>
                     <bond atomRefs2="a22 a23" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a24" order="S"/>
                     <bond atomRefs2="a23 a59" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a57" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a30 a61" order="S"/>
                     <bond atomRefs2="a30 a47" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a66" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a61" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a33 a35" order="S"/>
                     <bond atomRefs2="a33 a34" order="S"/>
                     <bond atomRefs2="a33 a37" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a35" order="S"/>
                     <bond atomRefs2="a34 a38" order="S"/>
                     <bond atomRefs2="a34 a37" order="S"/>
                     <bond atomRefs2="a34 a36" order="S"/>
                     <bond atomRefs2="a35 a36" order="S"/>
                     <bond atomRefs2="a35 a39" order="S"/>
                     <bond atomRefs2="a35 a37" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a40" order="S"/>
                     <bond atomRefs2="a36 a39" order="S"/>
                     <bond atomRefs2="a36 a38" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a44" order="S"/>
                     <bond atomRefs2="a38 a40" order="S"/>
                     <bond atomRefs2="a38 a39" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a57" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a58" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a45 a67" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a46 a68" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a57" order="S"/>
                     <bond atomRefs2="a47 a61" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a47 a67" order="S"/>
                     <bond atomRefs2="a48 a68" order="S"/>
                     <bond atomRefs2="a48 a58" order="S"/>
                     <bond atomRefs2="a48 a62" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a61 a69" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a62 a69" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                     <bond atomRefs2="a63 a69" order="S"/>
                  </bondArray>
                  <formula concise="Br5Cu64">
                     <atomArray count="5 64" elementType="Br Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4466.463999999996</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.80">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">10.364410710831562</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">10.364412581405663</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.16843459"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.16843372"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.4184342"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.4184343"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.24343294"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.24343304"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.49343352"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.49343362"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.04895"
                           xFract="0.06880783"
                           y3="0.58685"
                           yFract="0.06542188"
                           z3="5.37022"
                           zFract="0.24919681"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="3.61756"
                           xFract="0.31689751"
                           y3="0.59052"
                           yFract="0.06583101"
                           z3="5.5318"
                           zFract="0.24939736"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="2.34653"
                           xFract="0.06920338"
                           y3="2.83846"
                           yFract="0.31643078"
                           z3="5.52715"
                           zFract="0.24909138"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.93669"
                           xFract="0.31923847"
                           y3="2.84461"
                           yFract="0.31711638"
                           z3="5.67882"
                           zFract="0.24875835"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.2502"
                           xFract="0.14875035"
                           y3="1.2383"
                           yFract="0.13804536"
                           z3="7.55886"
                           zFract="0.34783608"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="4.80245"
                           xFract="0.39568786"
                           y3="1.23424"
                           yFract="0.13759275"
                           z3="7.64894"
                           zFract="0.34472554"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="3.50743"
                           xFract="0.14677371"
                           y3="3.46239"
                           yFract="0.38598633"
                           z3="7.7003"
                           zFract="0.34716269"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.07471"
                           xFract="0.39441275"
                           y3="3.47186"
                           yFract="0.38704204"
                           z3="7.92142"
                           zFract="0.35016467"/>
                     <atom elementType="Cu"
                           id="a17"
                           x3="5.1870"
                           xFract="0.16843382"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a18"
                           x3="6.47529"
                           xFract="0.16843391"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a19"
                           x3="7.77327"
                           xFract="0.4184344"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a20"
                           x3="9.06156"
                           xFract="0.41843449"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="6.34936"
                           xFract="0.24343314"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="7.63765"
                           xFract="0.24343323"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="8.93563"
                           xFract="0.49343372"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="10.22391"
                           xFract="0.49343285"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="3.61485"
                           xFract="0.06711094"
                           y3="5.08394"
                           yFract="0.5667563"
                           z3="5.69246"
                           zFract="0.24947572"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.22181"
                           xFract="0.32022046"
                           y3="5.06397"
                           yFract="0.56453005"
                           z3="5.86832"
                           zFract="0.25027839"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.93206"
                           xFract="0.07147366"
                           y3="7.29828"
                           yFract="0.81361034"
                           z3="5.84646"
                           zFract="0.24923774"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.50823"
                           xFract="0.31938508"
                           y3="7.31832"
                           yFract="0.81584439"
                           z3="5.98475"
                           zFract="0.24829102"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.79173"
                           xFract="0.14314954"
                           y3="5.76327"
                           yFract="0.64248783"
                           z3="7.87955"
                           zFract="0.34806566"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="7.38881"
                           xFract="0.39596095"
                           y3="5.73147"
                           yFract="0.63894277"
                           z3="8.02591"
                           zFract="0.34752568"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.05732"
                           xFract="0.14246635"
                           y3="7.97862"
                           yFract="0.88945446"
                           z3="8.02442"
                           zFract="0.34754447"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.67994"
                           xFract="0.39501334"
                           y3="7.99604"
                           yFract="0.89139644"
                           z3="8.1858"
                           zFract="0.34755678"/>
                     <atom elementType="Cu"
                           id="a33"
                           x3="7.78295"
                           xFract="0.66843382"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a34"
                           x3="9.07124"
                           xFract="0.66843391"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a35"
                           x3="10.36922"
                           xFract="0.9184344"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a36"
                           x3="11.65751"
                           xFract="0.91843449"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a37"
                           x3="8.94531"
                           xFract="0.74343314"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a38"
                           x3="10.2336"
                           xFract="0.74343323"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a39"
                           x3="11.53158"
                           xFract="0.99343372"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a40"
                           x3="12.81986"
                           xFract="0.99343285"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a41"
                           x3="6.2429"
                           xFract="0.57153218"
                           y3="0.57508"
                           yFract="0.06410977"
                           z3="5.69401"
                           zFract="0.24949583"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="8.8165"
                           xFract="0.81818839"
                           y3="0.61325"
                           yFract="0.06836495"
                           z3="5.85296"
                           zFract="0.24950036"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="7.49874"
                           xFract="0.5673443"
                           y3="2.83657"
                           yFract="0.31622008"
                           z3="5.84342"
                           zFract="0.24913977"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.09044"
                           xFract="0.8179775"
                           y3="2.83463"
                           yFract="0.31600381"
                           z3="6.00301"
                           zFract="0.24918923"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.38548"
                           xFract="0.64669522"
                           y3="1.21047"
                           yFract="0.13494288"
                           z3="7.88665"
                           zFract="0.34851981"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="9.9594"
                           xFract="0.89516659"
                           y3="1.21651"
                           yFract="0.13561622"
                           z3="8.04779"
                           zFract="0.34868033"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="8.66843"
                           xFract="0.64381462"
                           y3="3.49561"
                           yFract="0.38968969"
                           z3="8.03179"
                           zFract="0.3478447"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.25142"
                           xFract="0.89327213"
                           y3="3.49968"
                           yFract="0.39014341"
                           z3="8.1745"
                           zFract="0.34711337"/>
                     <atom elementType="Cu"
                           id="a49"
                           x3="10.35953"
                           xFract="0.66843401"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.90692"
                           zFract="0.05000395"/>
                     <atom elementType="Cu"
                           id="a50"
                           x3="11.64782"
                           xFract="0.66843411"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.0652"
                           zFract="0.05000409"/>
                     <atom elementType="Cu"
                           id="a51"
                           x3="12.9458"
                           xFract="0.91843459"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="2.0652"
                           zFract="0.05000408"/>
                     <atom elementType="Cu"
                           id="a52"
                           x3="14.23408"
                           xFract="0.91843372"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.22348"
                           zFract="0.05000424"/>
                     <atom elementType="Cu"
                           id="a53"
                           x3="11.52189"
                           xFract="0.74343333"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.1228"
                           zFract="0.15000418"/>
                     <atom elementType="Cu"
                           id="a54"
                           x3="12.81018"
                           xFract="0.74343343"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.28107"
                           zFract="0.15000385"/>
                     <atom elementType="Cu"
                           id="a55"
                           x3="14.10815"
                           xFract="0.99343294"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.28107"
                           zFract="0.15000386"/>
                     <atom elementType="Cu"
                           id="a56"
                           x3="15.39644"
                           xFract="0.99343304"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.43935"
                           zFract="0.150004"/>
                     <atom elementType="Cu"
                           id="a57"
                           x3="8.80837"
                           xFract="0.56963379"
                           y3="5.07505"
                           yFract="0.56576524"
                           z3="6.03596"
                           zFract="0.25070049"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="11.38984"
                           xFract="0.81967682"
                           y3="5.06593"
                           yFract="0.56474855"
                           z3="6.1815"
                           zFract="0.25012901"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="10.08353"
                           xFract="0.5683558"
                           y3="7.31777"
                           yFract="0.81578308"
                           z3="6.15992"
                           zFract="0.24912008"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.66802"
                           xFract="0.81867077"
                           y3="7.30901"
                           yFract="0.81480652"
                           z3="6.29984"
                           zFract="0.2482743"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.95855"
                           xFract="0.64520719"
                           y3="5.71628"
                           yFract="0.63724939"
                           z3="8.20235"
                           zFract="0.34845511"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="12.57534"
                           xFract="0.89716174"
                           y3="5.73422"
                           yFract="0.63924934"
                           z3="8.36741"
                           zFract="0.34865688"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="11.25594"
                           xFract="0.6435747"
                           y3="8.00408"
                           yFract="0.89229274"
                           z3="8.35913"
                           zFract="0.34828271"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.84923"
                           xFract="0.89540447"
                           y3="7.98336"
                           yFract="0.88998288"
                           z3="8.43156"
                           zFract="0.34424939"/>
                     <atom elementType="Br"
                           id="a65"
                           x3="4.10207"
                           xFract="0.14809458"
                           y3="4.47371"
                           yFract="0.49872802"
                           z3="9.88391"
                           zFract="0.44671415"/>
                     <atom elementType="Br"
                           id="a66"
                           x3="7.22714"
                           xFract="0.30215316"
                           y3="7.13933"
                           yFract="0.79589063"
                           z3="10.12239"
                           zFract="0.44448908"/>
                     <atom elementType="Br"
                           id="a67"
                           x3="7.38051"
                           xFract="0.57302535"
                           y3="2.52846"
                           yFract="0.28187206"
                           z3="10.00289"
                           zFract="0.44611281"/>
                     <atom elementType="Br"
                           id="a68"
                           x3="11.22202"
                           xFract="0.97574264"
                           y3="1.96338"
                           yFract="0.21887709"
                           z3="10.17762"
                           zFract="0.44421028"/>
                     <atom elementType="Br"
                           id="a69"
                           x3="11.10679"
                           xFract="0.71471786"
                           y3="6.46331"
                           yFract="0.7205281"
                           z3="10.34488"
                           zFract="0.44491364"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a33" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a4 a33" order="S"/>
                     <bond atomRefs2="a4 a19" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a17" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a34" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a26" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a33" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a41" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a37" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a21" order="S"/>
                     <bond atomRefs2="a8 a26" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a34" order="S"/>
                     <bond atomRefs2="a8 a38" order="S"/>
                     <bond atomRefs2="a8 a37" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a23" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a25" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a26" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a29" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a16 a67" order="S"/>
                     <bond atomRefs2="a16 a43" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a26" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a30" order="S"/>
                     <bond atomRefs2="a16 a47" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a23" order="S"/>
                     <bond atomRefs2="a19 a34" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a27" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a26" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a23" order="S"/>
                     <bond atomRefs2="a22 a28" order="S"/>
                     <bond atomRefs2="a22 a24" order="S"/>
                     <bond atomRefs2="a22 a23" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a24" order="S"/>
                     <bond atomRefs2="a23 a59" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a57" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a30 a61" order="S"/>
                     <bond atomRefs2="a30 a47" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a66" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a61" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a33 a35" order="S"/>
                     <bond atomRefs2="a33 a34" order="S"/>
                     <bond atomRefs2="a33 a37" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a35" order="S"/>
                     <bond atomRefs2="a34 a38" order="S"/>
                     <bond atomRefs2="a34 a37" order="S"/>
                     <bond atomRefs2="a34 a36" order="S"/>
                     <bond atomRefs2="a35 a36" order="S"/>
                     <bond atomRefs2="a35 a39" order="S"/>
                     <bond atomRefs2="a35 a37" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a40" order="S"/>
                     <bond atomRefs2="a36 a39" order="S"/>
                     <bond atomRefs2="a36 a38" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a44" order="S"/>
                     <bond atomRefs2="a38 a40" order="S"/>
                     <bond atomRefs2="a38 a39" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a57" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a58" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a45 a67" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a46 a68" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a57" order="S"/>
                     <bond atomRefs2="a47 a61" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a47 a67" order="S"/>
                     <bond atomRefs2="a48 a68" order="S"/>
                     <bond atomRefs2="a48 a58" order="S"/>
                     <bond atomRefs2="a48 a62" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a61 a69" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a62 a69" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                     <bond atomRefs2="a63 a69" order="S"/>
                  </bondArray>
                  <formula concise="Br5Cu64">
                     <atomArray count="5 64" elementType="Br Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4466.463999999996</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.81">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">10.364410710831562</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">10.364412581405663</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.16843459"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.16843372"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.4184342"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.4184343"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.24343294"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.24343304"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.49343352"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.49343362"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.04967"
                           xFract="0.06881412"
                           y3="0.58799"
                           yFract="0.06554897"
                           z3="5.37037"
                           zFract="0.2491999"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="3.61719"
                           xFract="0.31680622"
                           y3="0.59152"
                           yFract="0.06594249"
                           z3="5.53126"
                           zFract="0.24937129"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="2.34634"
                           xFract="0.06916558"
                           y3="2.83881"
                           yFract="0.31646979"
                           z3="5.52733"
                           zFract="0.24909983"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.93647"
                           xFract="0.31916445"
                           y3="2.84556"
                           yFract="0.31722228"
                           z3="5.67839"
                           zFract="0.24873712"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.25146"
                           xFract="0.14883106"
                           y3="1.23904"
                           yFract="0.13812785"
                           z3="7.55775"
                           zFract="0.34777887"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="4.80293"
                           xFract="0.39568151"
                           y3="1.23519"
                           yFract="0.13769866"
                           z3="7.64888"
                           zFract="0.34471974"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="3.50865"
                           xFract="0.14682278"
                           y3="3.46363"
                           yFract="0.38612456"
                           z3="7.70151"
                           zFract="0.34721415"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.0747"
                           xFract="0.39431849"
                           y3="3.47354"
                           yFract="0.38722933"
                           z3="7.9211"
                           zFract="0.35014681"/>
                     <atom elementType="Cu"
                           id="a17"
                           x3="5.1870"
                           xFract="0.16843382"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a18"
                           x3="6.47529"
                           xFract="0.16843391"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a19"
                           x3="7.77327"
                           xFract="0.4184344"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a20"
                           x3="9.06156"
                           xFract="0.41843449"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="6.34936"
                           xFract="0.24343314"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="7.63765"
                           xFract="0.24343323"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="8.93563"
                           xFract="0.49343372"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="10.22391"
                           xFract="0.49343285"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="3.61574"
                           xFract="0.06717587"
                           y3="5.08432"
                           yFract="0.56679866"
                           z3="5.69211"
                           zFract="0.24945602"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.22216"
                           xFract="0.32021653"
                           y3="5.06465"
                           yFract="0.56460585"
                           z3="5.86783"
                           zFract="0.25025314"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.93278"
                           xFract="0.07148939"
                           y3="7.29925"
                           yFract="0.81371847"
                           z3="5.84641"
                           zFract="0.24923169"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.50815"
                           xFract="0.31935347"
                           y3="7.31875"
                           yFract="0.81589233"
                           z3="5.98534"
                           zFract="0.24831835"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.79235"
                           xFract="0.1431345"
                           y3="5.76462"
                           yFract="0.64263832"
                           z3="7.87972"
                           zFract="0.34806964"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="7.38901"
                           xFract="0.39589921"
                           y3="5.73293"
                           yFract="0.63910553"
                           z3="8.0259"
                           zFract="0.3475222"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.05851"
                           xFract="0.14250142"
                           y3="7.98006"
                           yFract="0.88961499"
                           z3="8.02418"
                           zFract="0.34752732"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.68025"
                           xFract="0.39499444"
                           y3="7.99692"
                           yFract="0.89149454"
                           z3="8.18484"
                           zFract="0.34750915"/>
                     <atom elementType="Cu"
                           id="a33"
                           x3="7.78295"
                           xFract="0.66843382"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a34"
                           x3="9.07124"
                           xFract="0.66843391"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a35"
                           x3="10.36922"
                           xFract="0.9184344"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a36"
                           x3="11.65751"
                           xFract="0.91843449"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a37"
                           x3="8.94531"
                           xFract="0.74343314"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a38"
                           x3="10.2336"
                           xFract="0.74343323"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a39"
                           x3="11.53158"
                           xFract="0.99343372"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a40"
                           x3="12.81986"
                           xFract="0.99343285"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a41"
                           x3="6.24346"
                           xFract="0.57154466"
                           y3="0.57583"
                           yFract="0.06419338"
                           z3="5.69469"
                           zFract="0.24952502"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="8.81621"
                           xFract="0.81812149"
                           y3="0.61395"
                           yFract="0.06844298"
                           z3="5.85325"
                           zFract="0.2495137"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="7.49862"
                           xFract="0.56733659"
                           y3="2.8365"
                           yFract="0.31621228"
                           z3="5.84377"
                           zFract="0.24915674"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.09061"
                           xFract="0.8179795"
                           y3="2.83489"
                           yFract="0.31603279"
                           z3="6.00303"
                           zFract="0.24918925"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.38565"
                           xFract="0.64665224"
                           y3="1.21154"
                           yFract="0.13506216"
                           z3="7.88787"
                           zFract="0.34857505"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="9.95948"
                           xFract="0.89512879"
                           y3="1.21733"
                           yFract="0.13570763"
                           z3="8.04757"
                           zFract="0.34866836"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="8.66902"
                           xFract="0.64382"
                           y3="3.49654"
                           yFract="0.38979336"
                           z3="8.03117"
                           zFract="0.34781221"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.25196"
                           xFract="0.89329656"
                           y3="3.50018"
                           yFract="0.39019915"
                           z3="8.17494"
                           zFract="0.34713172"/>
                     <atom elementType="Cu"
                           id="a49"
                           x3="10.35953"
                           xFract="0.66843401"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.90692"
                           zFract="0.05000395"/>
                     <atom elementType="Cu"
                           id="a50"
                           x3="11.64782"
                           xFract="0.66843411"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.0652"
                           zFract="0.05000409"/>
                     <atom elementType="Cu"
                           id="a51"
                           x3="12.9458"
                           xFract="0.91843459"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="2.0652"
                           zFract="0.05000408"/>
                     <atom elementType="Cu"
                           id="a52"
                           x3="14.23408"
                           xFract="0.91843372"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.22348"
                           zFract="0.05000424"/>
                     <atom elementType="Cu"
                           id="a53"
                           x3="11.52189"
                           xFract="0.74343333"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.1228"
                           zFract="0.15000418"/>
                     <atom elementType="Cu"
                           id="a54"
                           x3="12.81018"
                           xFract="0.74343343"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.28107"
                           zFract="0.15000385"/>
                     <atom elementType="Cu"
                           id="a55"
                           x3="14.10815"
                           xFract="0.99343294"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.28107"
                           zFract="0.15000386"/>
                     <atom elementType="Cu"
                           id="a56"
                           x3="15.39644"
                           xFract="0.99343304"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.43935"
                           zFract="0.150004"/>
                     <atom elementType="Cu"
                           id="a57"
                           x3="8.80879"
                           xFract="0.56962719"
                           y3="5.0759"
                           yFract="0.56586"
                           z3="6.03559"
                           zFract="0.25068041"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="11.3895"
                           xFract="0.81960842"
                           y3="5.06657"
                           yFract="0.56481989"
                           z3="6.18105"
                           zFract="0.25010771"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="10.08444"
                           xFract="0.56839378"
                           y3="7.31867"
                           yFract="0.81588341"
                           z3="6.15951"
                           zFract="0.24909662"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.66788"
                           xFract="0.81862336"
                           y3="7.30962"
                           yFract="0.81487452"
                           z3="6.30018"
                           zFract="0.24828972"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.95969"
                           xFract="0.64524464"
                           y3="5.71759"
                           yFract="0.63739543"
                           z3="8.20245"
                           zFract="0.34845435"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="12.57602"
                           xFract="0.89720415"
                           y3="5.73464"
                           yFract="0.63929616"
                           z3="8.3675"
                           zFract="0.34865846"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="11.25655"
                           xFract="0.6436009"
                           y3="8.00467"
                           yFract="0.89235851"
                           z3="8.35958"
                           zFract="0.34830118"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.84927"
                           xFract="0.89539001"
                           y3="7.98369"
                           yFract="0.89001967"
                           z3="8.43172"
                           zFract="0.34425627"/>
                     <atom elementType="Br"
                           id="a65"
                           x3="4.10098"
                           xFract="0.14797589"
                           y3="4.47395"
                           yFract="0.49875477"
                           z3="9.8840"
                           zFract="0.44672113"/>
                     <atom elementType="Br"
                           id="a66"
                           x3="7.22771"
                           xFract="0.30220382"
                           y3="7.13941"
                           yFract="0.79589955"
                           z3="10.12254"
                           zFract="0.44449437"/>
                     <atom elementType="Br"
                           id="a67"
                           x3="7.38019"
                           xFract="0.57276452"
                           y3="2.5326"
                           yFract="0.28233358"
                           z3="10.00177"
                           zFract="0.44605401"/>
                     <atom elementType="Br"
                           id="a68"
                           x3="11.22095"
                           xFract="0.97571417"
                           y3="1.96203"
                           yFract="0.21872659"
                           z3="10.17753"
                           zFract="0.44421138"/>
                     <atom elementType="Br"
                           id="a69"
                           x3="11.10776"
                           xFract="0.71489714"
                           y3="6.46177"
                           yFract="0.72035642"
                           z3="10.34384"
                           zFract="0.44486438"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a33" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a4 a33" order="S"/>
                     <bond atomRefs2="a4 a19" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a17" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a34" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a26" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a33" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a41" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a37" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a21" order="S"/>
                     <bond atomRefs2="a8 a26" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a34" order="S"/>
                     <bond atomRefs2="a8 a38" order="S"/>
                     <bond atomRefs2="a8 a37" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a23" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a25" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a26" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a29" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a16 a67" order="S"/>
                     <bond atomRefs2="a16 a43" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a26" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a30" order="S"/>
                     <bond atomRefs2="a16 a47" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a23" order="S"/>
                     <bond atomRefs2="a19 a34" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a27" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a26" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a23" order="S"/>
                     <bond atomRefs2="a22 a28" order="S"/>
                     <bond atomRefs2="a22 a24" order="S"/>
                     <bond atomRefs2="a22 a23" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a24" order="S"/>
                     <bond atomRefs2="a23 a59" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a57" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a30 a61" order="S"/>
                     <bond atomRefs2="a30 a47" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a66" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a61" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a33 a35" order="S"/>
                     <bond atomRefs2="a33 a34" order="S"/>
                     <bond atomRefs2="a33 a37" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a35" order="S"/>
                     <bond atomRefs2="a34 a38" order="S"/>
                     <bond atomRefs2="a34 a37" order="S"/>
                     <bond atomRefs2="a34 a36" order="S"/>
                     <bond atomRefs2="a35 a36" order="S"/>
                     <bond atomRefs2="a35 a39" order="S"/>
                     <bond atomRefs2="a35 a37" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a40" order="S"/>
                     <bond atomRefs2="a36 a39" order="S"/>
                     <bond atomRefs2="a36 a38" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a44" order="S"/>
                     <bond atomRefs2="a38 a40" order="S"/>
                     <bond atomRefs2="a38 a39" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a57" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a58" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a45 a67" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a46 a68" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a57" order="S"/>
                     <bond atomRefs2="a47 a61" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a47 a67" order="S"/>
                     <bond atomRefs2="a48 a68" order="S"/>
                     <bond atomRefs2="a48 a58" order="S"/>
                     <bond atomRefs2="a48 a62" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a61 a69" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a62 a69" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                     <bond atomRefs2="a63 a69" order="S"/>
                  </bondArray>
                  <formula concise="Br5Cu64">
                     <atomArray count="5 64" elementType="Br Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4466.463999999996</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.82">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">10.364410710831562</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">10.364412581405663</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.16843459"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.16843372"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.4184342"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.4184343"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.24343294"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.24343304"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.49343352"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.49343362"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.05018"
                           xFract="0.06870127"
                           y3="0.59091"
                           yFract="0.06587449"
                           z3="5.37014"
                           zFract="0.24918271"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="3.61948"
                           xFract="0.31701036"
                           y3="0.59183"
                           yFract="0.06597705"
                           z3="5.5298"
                           zFract="0.24929533"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="2.34882"
                           xFract="0.06925371"
                           y3="2.84154"
                           yFract="0.31677413"
                           z3="5.52832"
                           zFract="0.24913479"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.93533"
                           xFract="0.31890543"
                           y3="2.84824"
                           yFract="0.31752105"
                           z3="5.68012"
                           zFract="0.2488175"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.25467"
                           xFract="0.14879706"
                           y3="1.24524"
                           yFract="0.13881903"
                           z3="7.55806"
                           zFract="0.34777387"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="4.80706"
                           xFract="0.39588637"
                           y3="1.23869"
                           yFract="0.13808884"
                           z3="7.64659"
                           zFract="0.34459401"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="3.50916"
                           xFract="0.14678878"
                           y3="3.46513"
                           yFract="0.38629178"
                           z3="7.7020"
                           zFract="0.34723327"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.07824"
                           xFract="0.39433249"
                           y3="3.47945"
                           yFract="0.38788817"
                           z3="7.91967"
                           zFract="0.3500593"/>
                     <atom elementType="Cu"
                           id="a17"
                           x3="5.1870"
                           xFract="0.16843382"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a18"
                           x3="6.47529"
                           xFract="0.16843391"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a19"
                           x3="7.77327"
                           xFract="0.4184344"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a20"
                           x3="9.06156"
                           xFract="0.41843449"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="6.34936"
                           xFract="0.24343314"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="7.63765"
                           xFract="0.24343323"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="8.93563"
                           xFract="0.49343372"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="10.22391"
                           xFract="0.49343285"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="3.61589"
                           xFract="0.0670532"
                           y3="5.08679"
                           yFract="0.56707401"
                           z3="5.69207"
                           zFract="0.24944958"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.22243"
                           xFract="0.32008937"
                           y3="5.06741"
                           yFract="0.56491354"
                           z3="5.8672"
                           zFract="0.25021805"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.93506"
                           xFract="0.07154597"
                           y3="7.3022"
                           yFract="0.81404734"
                           z3="5.84697"
                           zFract="0.24924659"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.50781"
                           xFract="0.31930561"
                           y3="7.31902"
                           yFract="0.81592243"
                           z3="5.98855"
                           zFract="0.24847023"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.79353"
                           xFract="0.14317915"
                           y3="5.76587"
                           yFract="0.64277767"
                           z3="7.88064"
                           zFract="0.34810752"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="7.39019"
                           xFract="0.39579837"
                           y3="5.7368"
                           yFract="0.63953696"
                           z3="8.02671"
                           zFract="0.34755052"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.05925"
                           xFract="0.14249854"
                           y3="7.9814"
                           yFract="0.88976438"
                           z3="8.02359"
                           zFract="0.34749513"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.68062"
                           xFract="0.39499799"
                           y3="7.9975"
                           yFract="0.8915592"
                           z3="8.1851"
                           zFract="0.34751937"/>
                     <atom elementType="Cu"
                           id="a33"
                           x3="7.78295"
                           xFract="0.66843382"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a34"
                           x3="9.07124"
                           xFract="0.66843391"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a35"
                           x3="10.36922"
                           xFract="0.9184344"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a36"
                           x3="11.65751"
                           xFract="0.91843449"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a37"
                           x3="8.94531"
                           xFract="0.74343314"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a38"
                           x3="10.2336"
                           xFract="0.74343323"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a39"
                           x3="11.53158"
                           xFract="0.99343372"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a40"
                           x3="12.81986"
                           xFract="0.99343285"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a41"
                           x3="6.24603"
                           xFract="0.57170646"
                           y3="0.57739"
                           yFract="0.06436729"
                           z3="5.69413"
                           zFract="0.2494886"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="8.81777"
                           xFract="0.81815845"
                           y3="0.6160"
                           yFract="0.06867152"
                           z3="5.85534"
                           zFract="0.24960431"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="7.49942"
                           xFract="0.5672651"
                           y3="2.83918"
                           yFract="0.31651104"
                           z3="5.84423"
                           zFract="0.24917164"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.09042"
                           xFract="0.81787728"
                           y3="2.8364"
                           yFract="0.31620113"
                           z3="6.00205"
                           zFract="0.24914107"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.38415"
                           xFract="0.64636508"
                           y3="1.2141"
                           yFract="0.13534755"
                           z3="7.88897"
                           zFract="0.34862697"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="9.96162"
                           xFract="0.89510408"
                           y3="1.2215"
                           yFract="0.1361725"
                           z3="8.04677"
                           zFract="0.3486175"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="8.67287"
                           xFract="0.64384343"
                           y3="3.50282"
                           yFract="0.39049345"
                           z3="8.0289"
                           zFract="0.34768358"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.25263"
                           xFract="0.89315475"
                           y3="3.5039"
                           yFract="0.39061385"
                           z3="8.17498"
                           zFract="0.34712546"/>
                     <atom elementType="Cu"
                           id="a49"
                           x3="10.35953"
                           xFract="0.66843401"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.90692"
                           zFract="0.05000395"/>
                     <atom elementType="Cu"
                           id="a50"
                           x3="11.64782"
                           xFract="0.66843411"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.0652"
                           zFract="0.05000409"/>
                     <atom elementType="Cu"
                           id="a51"
                           x3="12.9458"
                           xFract="0.91843459"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="2.0652"
                           zFract="0.05000408"/>
                     <atom elementType="Cu"
                           id="a52"
                           x3="14.23408"
                           xFract="0.91843372"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.22348"
                           zFract="0.05000424"/>
                     <atom elementType="Cu"
                           id="a53"
                           x3="11.52189"
                           xFract="0.74343333"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.1228"
                           zFract="0.15000418"/>
                     <atom elementType="Cu"
                           id="a54"
                           x3="12.81018"
                           xFract="0.74343343"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.28107"
                           zFract="0.15000385"/>
                     <atom elementType="Cu"
                           id="a55"
                           x3="14.10815"
                           xFract="0.99343294"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.28107"
                           zFract="0.15000386"/>
                     <atom elementType="Cu"
                           id="a56"
                           x3="15.39644"
                           xFract="0.99343304"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.43935"
                           zFract="0.150004"/>
                     <atom elementType="Cu"
                           id="a57"
                           x3="8.81012"
                           xFract="0.56958583"
                           y3="5.07896"
                           yFract="0.56620113"
                           z3="6.03668"
                           zFract="0.25072286"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="11.3915"
                           xFract="0.81980286"
                           y3="5.06655"
                           yFract="0.56481766"
                           z3="6.17897"
                           zFract="0.2500039"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="10.0844"
                           xFract="0.56811948"
                           y3="7.32354"
                           yFract="0.81642632"
                           z3="6.15765"
                           zFract="0.2490009"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.66899"
                           xFract="0.81870844"
                           y3="7.31002"
                           yFract="0.81491911"
                           z3="6.30294"
                           zFract="0.24841598"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.96087"
                           xFract="0.64525264"
                           y3="5.7195"
                           yFract="0.63760836"
                           z3="8.19958"
                           zFract="0.34831243"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="12.57885"
                           xFract="0.89735998"
                           y3="5.73676"
                           yFract="0.6395325"
                           z3="8.3684"
                           zFract="0.34868919"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="11.25935"
                           xFract="0.6436661"
                           y3="8.00837"
                           yFract="0.89277098"
                           z3="8.36073"
                           zFract="0.34834114"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.85007"
                           xFract="0.89519746"
                           y3="7.98855"
                           yFract="0.89056146"
                           z3="8.43249"
                           zFract="0.34428215"/>
                     <atom elementType="Br"
                           id="a65"
                           x3="4.09995"
                           xFract="0.14768918"
                           y3="4.47732"
                           yFract="0.49913046"
                           z3="9.88508"
                           zFract="0.4467694"/>
                     <atom elementType="Br"
                           id="a66"
                           x3="7.22645"
                           xFract="0.30208091"
                           y3="7.13943"
                           yFract="0.79590178"
                           z3="10.12408"
                           zFract="0.44457058"/>
                     <atom elementType="Br"
                           id="a67"
                           x3="7.38033"
                           xFract="0.57214666"
                           y3="2.54397"
                           yFract="0.28360111"
                           z3="9.99935"
                           zFract="0.44592052"/>
                     <atom elementType="Br"
                           id="a68"
                           x3="11.2194"
                           xFract="0.97559322"
                           y3="1.96151"
                           yFract="0.21866862"
                           z3="10.17648"
                           zFract="0.44416721"/>
                     <atom elementType="Br"
                           id="a69"
                           x3="11.10747"
                           xFract="0.71488632"
                           y3="6.46146"
                           yFract="0.72032186"
                           z3="10.3451"
                           zFract="0.44492514"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a33" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a4 a33" order="S"/>
                     <bond atomRefs2="a4 a19" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a17" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a34" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a26" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a33" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a41" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a37" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a21" order="S"/>
                     <bond atomRefs2="a8 a26" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a34" order="S"/>
                     <bond atomRefs2="a8 a38" order="S"/>
                     <bond atomRefs2="a8 a37" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a23" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a25" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a26" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a29" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a16 a67" order="S"/>
                     <bond atomRefs2="a16 a43" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a26" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a30" order="S"/>
                     <bond atomRefs2="a16 a47" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a23" order="S"/>
                     <bond atomRefs2="a19 a34" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a27" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a26" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a23" order="S"/>
                     <bond atomRefs2="a22 a28" order="S"/>
                     <bond atomRefs2="a22 a24" order="S"/>
                     <bond atomRefs2="a22 a23" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a24" order="S"/>
                     <bond atomRefs2="a23 a59" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a57" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a30 a61" order="S"/>
                     <bond atomRefs2="a30 a47" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a66" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a61" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a33 a35" order="S"/>
                     <bond atomRefs2="a33 a34" order="S"/>
                     <bond atomRefs2="a33 a37" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a35" order="S"/>
                     <bond atomRefs2="a34 a38" order="S"/>
                     <bond atomRefs2="a34 a37" order="S"/>
                     <bond atomRefs2="a34 a36" order="S"/>
                     <bond atomRefs2="a35 a36" order="S"/>
                     <bond atomRefs2="a35 a39" order="S"/>
                     <bond atomRefs2="a35 a37" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a40" order="S"/>
                     <bond atomRefs2="a36 a39" order="S"/>
                     <bond atomRefs2="a36 a38" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a44" order="S"/>
                     <bond atomRefs2="a38 a40" order="S"/>
                     <bond atomRefs2="a38 a39" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a57" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a58" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a45 a67" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a46 a68" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a57" order="S"/>
                     <bond atomRefs2="a47 a61" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a47 a67" order="S"/>
                     <bond atomRefs2="a48 a68" order="S"/>
                     <bond atomRefs2="a48 a58" order="S"/>
                     <bond atomRefs2="a48 a62" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a61 a69" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a62 a69" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                     <bond atomRefs2="a63 a69" order="S"/>
                  </bondArray>
                  <formula concise="Br5Cu64">
                     <atomArray count="5 64" elementType="Br Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4466.463999999996</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.83">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">10.364410710831562</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">10.364412581405663</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.16843459"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.16843372"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.4184342"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.4184343"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.24343294"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.24343304"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.49343352"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.49343362"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.05045"
                           xFract="0.06864018"
                           y3="0.59248"
                           yFract="0.06604951"
                           z3="5.37002"
                           zFract="0.24917365"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="3.6207"
                           xFract="0.31711941"
                           y3="0.59199"
                           yFract="0.06599489"
                           z3="5.52902"
                           zFract="0.24925477"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="2.35015"
                           xFract="0.0693012"
                           y3="2.8430"
                           yFract="0.31693689"
                           z3="5.52884"
                           zFract="0.24915303"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.93471"
                           xFract="0.31876553"
                           y3="2.84968"
                           yFract="0.31768158"
                           z3="5.68105"
                           zFract="0.24886074"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.25639"
                           xFract="0.14877896"
                           y3="1.24856"
                           yFract="0.13918914"
                           z3="7.55823"
                           zFract="0.34777138"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="4.80928"
                           xFract="0.39599712"
                           y3="1.24056"
                           yFract="0.1382973"
                           z3="7.64537"
                           zFract="0.34452696"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="3.50943"
                           xFract="0.1467699"
                           y3="3.46594"
                           yFract="0.38638208"
                           z3="7.70226"
                           zFract="0.3472434"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.08013"
                           xFract="0.39433916"
                           y3="3.48262"
                           yFract="0.38824156"
                           z3="7.91891"
                           zFract="0.35001272"/>
                     <atom elementType="Cu"
                           id="a17"
                           x3="5.1870"
                           xFract="0.16843382"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a18"
                           x3="6.47529"
                           xFract="0.16843391"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a19"
                           x3="7.77327"
                           xFract="0.4184344"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a20"
                           x3="9.06156"
                           xFract="0.41843449"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="6.34936"
                           xFract="0.24343314"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="7.63765"
                           xFract="0.24343323"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="8.93563"
                           xFract="0.49343372"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="10.22391"
                           xFract="0.49343285"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="3.61597"
                           xFract="0.06698764"
                           y3="5.08811"
                           yFract="0.56722117"
                           z3="5.69204"
                           zFract="0.24944573"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.22258"
                           xFract="0.32002168"
                           y3="5.06889"
                           yFract="0.56507853"
                           z3="5.86687"
                           zFract="0.25019958"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.93628"
                           xFract="0.07157672"
                           y3="7.30377"
                           yFract="0.81422236"
                           z3="5.84727"
                           zFract="0.24925459"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.50763"
                           xFract="0.31927988"
                           y3="7.31917"
                           yFract="0.81593915"
                           z3="5.99027"
                           zFract="0.2485516"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.79417"
                           xFract="0.14320381"
                           y3="5.76654"
                           yFract="0.64285237"
                           z3="7.88113"
                           zFract="0.34812766"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="7.39081"
                           xFract="0.39574335"
                           y3="5.73887"
                           yFract="0.63976772"
                           z3="8.02715"
                           zFract="0.34756602"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.05964"
                           xFract="0.14249626"
                           y3="7.98212"
                           yFract="0.88984464"
                           z3="8.02328"
                           zFract="0.34747818"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.68082"
                           xFract="0.39500011"
                           y3="7.99781"
                           yFract="0.89159376"
                           z3="8.18524"
                           zFract="0.34752488"/>
                     <atom elementType="Cu"
                           id="a33"
                           x3="7.78295"
                           xFract="0.66843382"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a34"
                           x3="9.07124"
                           xFract="0.66843391"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a35"
                           x3="10.36922"
                           xFract="0.9184344"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a36"
                           x3="11.65751"
                           xFract="0.91843449"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a37"
                           x3="8.94531"
                           xFract="0.74343314"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a38"
                           x3="10.2336"
                           xFract="0.74343323"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a39"
                           x3="11.53158"
                           xFract="0.99343372"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a40"
                           x3="12.81986"
                           xFract="0.99343285"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a41"
                           x3="6.24741"
                           xFract="0.57179321"
                           y3="0.57823"
                           yFract="0.06446093"
                           z3="5.69384"
                           zFract="0.24946954"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="8.8186"
                           xFract="0.81817815"
                           y3="0.61709"
                           yFract="0.06879303"
                           z3="5.85647"
                           zFract="0.24965338"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="7.49984"
                           xFract="0.56722629"
                           y3="2.84061"
                           yFract="0.31667046"
                           z3="5.84448"
                           zFract="0.24917983"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.09032"
                           xFract="0.81782319"
                           y3="2.8372"
                           yFract="0.31629031"
                           z3="6.00152"
                           zFract="0.24911503"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.38335"
                           xFract="0.64621167"
                           y3="1.21547"
                           yFract="0.13550028"
                           z3="7.88956"
                           zFract="0.34865481"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="9.96277"
                           xFract="0.89509141"
                           y3="1.22373"
                           yFract="0.1364211"
                           z3="8.04634"
                           zFract="0.34859018"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="8.67493"
                           xFract="0.64385542"
                           y3="3.50619"
                           yFract="0.39086914"
                           z3="8.02769"
                           zFract="0.34761496"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.25299"
                           xFract="0.89307904"
                           y3="3.50589"
                           yFract="0.3908357"
                           z3="8.1750"
                           zFract="0.34712204"/>
                     <atom elementType="Cu"
                           id="a49"
                           x3="10.35953"
                           xFract="0.66843401"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.90692"
                           zFract="0.05000395"/>
                     <atom elementType="Cu"
                           id="a50"
                           x3="11.64782"
                           xFract="0.66843411"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.0652"
                           zFract="0.05000409"/>
                     <atom elementType="Cu"
                           id="a51"
                           x3="12.9458"
                           xFract="0.91843459"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="2.0652"
                           zFract="0.05000408"/>
                     <atom elementType="Cu"
                           id="a52"
                           x3="14.23408"
                           xFract="0.91843372"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.22348"
                           zFract="0.05000424"/>
                     <atom elementType="Cu"
                           id="a53"
                           x3="11.52189"
                           xFract="0.74343333"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.1228"
                           zFract="0.15000418"/>
                     <atom elementType="Cu"
                           id="a54"
                           x3="12.81018"
                           xFract="0.74343343"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.28107"
                           zFract="0.15000385"/>
                     <atom elementType="Cu"
                           id="a55"
                           x3="14.10815"
                           xFract="0.99343294"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.28107"
                           zFract="0.15000386"/>
                     <atom elementType="Cu"
                           id="a56"
                           x3="15.39644"
                           xFract="0.99343304"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.43935"
                           zFract="0.150004"/>
                     <atom elementType="Cu"
                           id="a57"
                           x3="8.81084"
                           xFract="0.56956491"
                           y3="5.08059"
                           yFract="0.56638284"
                           z3="6.03727"
                           zFract="0.25074588"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="11.39257"
                           xFract="0.81990684"
                           y3="5.06654"
                           yFract="0.56481655"
                           z3="6.17785"
                           zFract="0.24994802"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="10.08437"
                           xFract="0.56797164"
                           y3="7.32615"
                           yFract="0.81671728"
                           z3="6.15665"
                           zFract="0.24894948"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.66959"
                           xFract="0.81875478"
                           y3="7.31023"
                           yFract="0.81494252"
                           z3="6.30442"
                           zFract="0.24848368"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.96149"
                           xFract="0.64525537"
                           y3="5.72053"
                           yFract="0.63772318"
                           z3="8.19805"
                           zFract="0.34823679"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="12.58037"
                           xFract="0.89744361"
                           y3="5.7379"
                           yFract="0.63965959"
                           z3="8.36889"
                           zFract="0.348706"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="11.26084"
                           xFract="0.64369962"
                           y3="8.01036"
                           yFract="0.89299283"
                           z3="8.36135"
                           zFract="0.34836275"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.85049"
                           xFract="0.89509368"
                           y3="7.99115"
                           yFract="0.8908513"
                           z3="8.4329"
                           zFract="0.34429592"/>
                     <atom elementType="Br"
                           id="a65"
                           x3="4.0994"
                           xFract="0.14753606"
                           y3="4.47912"
                           yFract="0.49933112"
                           z3="9.88566"
                           zFract="0.44679533"/>
                     <atom elementType="Br"
                           id="a66"
                           x3="7.22578"
                           xFract="0.30201559"
                           y3="7.13944"
                           yFract="0.7959029"
                           z3="10.12491"
                           zFract="0.44461163"/>
                     <atom elementType="Br"
                           id="a67"
                           x3="7.3804"
                           xFract="0.5718158"
                           y3="2.55005"
                           yFract="0.2842789"
                           z3="9.99805"
                           zFract="0.44584886"/>
                     <atom elementType="Br"
                           id="a68"
                           x3="11.21856"
                           xFract="0.97552757"
                           y3="1.96123"
                           yFract="0.21863741"
                           z3="10.17592"
                           zFract="0.4441437"/>
                     <atom elementType="Br"
                           id="a69"
                           x3="11.10732"
                           xFract="0.71488071"
                           y3="6.4613"
                           yFract="0.72030403"
                           z3="10.34578"
                           zFract="0.4449579"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a33" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a4 a33" order="S"/>
                     <bond atomRefs2="a4 a19" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a17" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a34" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a26" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a33" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a41" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a37" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a21" order="S"/>
                     <bond atomRefs2="a8 a26" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a34" order="S"/>
                     <bond atomRefs2="a8 a38" order="S"/>
                     <bond atomRefs2="a8 a37" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a23" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a25" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a26" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a29" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a16 a67" order="S"/>
                     <bond atomRefs2="a16 a43" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a26" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a30" order="S"/>
                     <bond atomRefs2="a16 a47" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a23" order="S"/>
                     <bond atomRefs2="a19 a34" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a27" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a26" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a23" order="S"/>
                     <bond atomRefs2="a22 a28" order="S"/>
                     <bond atomRefs2="a22 a24" order="S"/>
                     <bond atomRefs2="a22 a23" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a24" order="S"/>
                     <bond atomRefs2="a23 a59" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a57" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a30 a61" order="S"/>
                     <bond atomRefs2="a30 a47" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a66" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a61" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a33 a35" order="S"/>
                     <bond atomRefs2="a33 a34" order="S"/>
                     <bond atomRefs2="a33 a37" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a35" order="S"/>
                     <bond atomRefs2="a34 a38" order="S"/>
                     <bond atomRefs2="a34 a37" order="S"/>
                     <bond atomRefs2="a34 a36" order="S"/>
                     <bond atomRefs2="a35 a36" order="S"/>
                     <bond atomRefs2="a35 a39" order="S"/>
                     <bond atomRefs2="a35 a37" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a40" order="S"/>
                     <bond atomRefs2="a36 a39" order="S"/>
                     <bond atomRefs2="a36 a38" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a44" order="S"/>
                     <bond atomRefs2="a38 a40" order="S"/>
                     <bond atomRefs2="a38 a39" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a57" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a58" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a45 a67" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a46 a68" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a57" order="S"/>
                     <bond atomRefs2="a47 a61" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a47 a67" order="S"/>
                     <bond atomRefs2="a48 a68" order="S"/>
                     <bond atomRefs2="a48 a58" order="S"/>
                     <bond atomRefs2="a48 a62" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a61 a69" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a62 a69" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                     <bond atomRefs2="a63 a69" order="S"/>
                  </bondArray>
                  <formula concise="Br5Cu64">
                     <atomArray count="5 64" elementType="Br Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4466.463999999996</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.84">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">10.364410710831562</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">10.364412581405663</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.16843459"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.16843372"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.4184342"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.4184343"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.24343294"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.24343304"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.49343352"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.49343362"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.05232"
                           xFract="0.06873099"
                           y3="0.5941"
                           yFract="0.06623011"
                           z3="5.37015"
                           zFract="0.24917168"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="3.62186"
                           xFract="0.31721821"
                           y3="0.59223"
                           yFract="0.06602164"
                           z3="5.53043"
                           zFract="0.2493175"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="2.35248"
                           xFract="0.0694609"
                           y3="2.84418"
                           yFract="0.31706844"
                           z3="5.52833"
                           zFract="0.24912029"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.93673"
                           xFract="0.3188203"
                           y3="2.85221"
                           yFract="0.31796362"
                           z3="5.68168"
                           zFract="0.24888039"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.2597"
                           xFract="0.14888123"
                           y3="1.25248"
                           yFract="0.13962614"
                           z3="7.55893"
                           zFract="0.34778828"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="4.81132"
                           xFract="0.39606382"
                           y3="1.24291"
                           yFract="0.13855928"
                           z3="7.64349"
                           zFract="0.3444285"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="3.51046"
                           xFract="0.14668399"
                           y3="3.46928"
                           yFract="0.38675442"
                           z3="7.7033"
                           zFract="0.34728389"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.08446"
                           xFract="0.39448006"
                           y3="3.48762"
                           yFract="0.38879896"
                           z3="7.91771"
                           zFract="0.34993529"/>
                     <atom elementType="Cu"
                           id="a17"
                           x3="5.1870"
                           xFract="0.16843382"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a18"
                           x3="6.47529"
                           xFract="0.16843391"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a19"
                           x3="7.77327"
                           xFract="0.4184344"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a20"
                           x3="9.06156"
                           xFract="0.41843449"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="6.34936"
                           xFract="0.24343314"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="7.63765"
                           xFract="0.24343323"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="8.93563"
                           xFract="0.49343372"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="10.22391"
                           xFract="0.49343285"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="3.61631"
                           xFract="0.06684835"
                           y3="5.09121"
                           yFract="0.56756675"
                           z3="5.69312"
                           zFract="0.24949049"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.22282"
                           xFract="0.3199005"
                           y3="5.07149"
                           yFract="0.56536837"
                           z3="5.8672"
                           zFract="0.25021011"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.93587"
                           xFract="0.07143047"
                           y3="7.30569"
                           yFract="0.8144364"
                           z3="5.84807"
                           zFract="0.24929029"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.50893"
                           xFract="0.31927672"
                           y3="7.32149"
                           yFract="0.81619778"
                           z3="5.98949"
                           zFract="0.2485072"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.79466"
                           xFract="0.14315622"
                           y3="5.76825"
                           yFract="0.643043"
                           z3="7.88159"
                           zFract="0.34814508"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="7.39197"
                           xFract="0.39570888"
                           y3="5.74151"
                           yFract="0.64006203"
                           z3="8.02916"
                           zFract="0.34765303"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.05914"
                           xFract="0.142278"
                           y3="7.98518"
                           yFract="0.89018577"
                           z3="8.0250"
                           zFract="0.34755561"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.68272"
                           xFract="0.39498275"
                           y3="8.00143"
                           yFract="0.89199732"
                           z3="8.18849"
                           zFract="0.34766659"/>
                     <atom elementType="Cu"
                           id="a33"
                           x3="7.78295"
                           xFract="0.66843382"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a34"
                           x3="9.07124"
                           xFract="0.66843391"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a35"
                           x3="10.36922"
                           xFract="0.9184344"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a36"
                           x3="11.65751"
                           xFract="0.91843449"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a37"
                           x3="8.94531"
                           xFract="0.74343314"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a38"
                           x3="10.2336"
                           xFract="0.74343323"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a39"
                           x3="11.53158"
                           xFract="0.99343372"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a40"
                           x3="12.81986"
                           xFract="0.99343285"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a41"
                           x3="6.25058"
                           xFract="0.57199302"
                           y3="0.58015"
                           yFract="0.06467497"
                           z3="5.69098"
                           zFract="0.24932234"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="8.82068"
                           xFract="0.81825316"
                           y3="0.61936"
                           yFract="0.06904609"
                           z3="5.85688"
                           zFract="0.24966292"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="7.50036"
                           xFract="0.56708386"
                           y3="2.84408"
                           yFract="0.31705729"
                           z3="5.84334"
                           zFract="0.24911878"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.09196"
                           xFract="0.8178279"
                           y3="2.83997"
                           yFract="0.31659911"
                           z3="6.00028"
                           zFract="0.24904721"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.38472"
                           xFract="0.64599315"
                           y3="1.22179"
                           yFract="0.13620483"
                           z3="7.8898"
                           zFract="0.34865162"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="9.9650"
                           xFract="0.89504265"
                           y3="1.22849"
                           yFract="0.13695174"
                           z3="8.04632"
                           zFract="0.34857485"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="8.67755"
                           xFract="0.64389488"
                           y3="3.51004"
                           yFract="0.39129834"
                           z3="8.02692"
                           zFract="0.34756466"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.25454"
                           xFract="0.89298842"
                           y3="3.51022"
                           yFract="0.3913184"
                           z3="8.17428"
                           zFract="0.34707639"/>
                     <atom elementType="Cu"
                           id="a49"
                           x3="10.35953"
                           xFract="0.66843401"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.90692"
                           zFract="0.05000395"/>
                     <atom elementType="Cu"
                           id="a50"
                           x3="11.64782"
                           xFract="0.66843411"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.0652"
                           zFract="0.05000409"/>
                     <atom elementType="Cu"
                           id="a51"
                           x3="12.9458"
                           xFract="0.91843459"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="2.0652"
                           zFract="0.05000408"/>
                     <atom elementType="Cu"
                           id="a52"
                           x3="14.23408"
                           xFract="0.91843372"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.22348"
                           zFract="0.05000424"/>
                     <atom elementType="Cu"
                           id="a53"
                           x3="11.52189"
                           xFract="0.74343333"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.1228"
                           zFract="0.15000418"/>
                     <atom elementType="Cu"
                           id="a54"
                           x3="12.81018"
                           xFract="0.74343343"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.28107"
                           zFract="0.15000385"/>
                     <atom elementType="Cu"
                           id="a55"
                           x3="14.10815"
                           xFract="0.99343294"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.28107"
                           zFract="0.15000386"/>
                     <atom elementType="Cu"
                           id="a56"
                           x3="15.39644"
                           xFract="0.99343304"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.43935"
                           zFract="0.150004"/>
                     <atom elementType="Cu"
                           id="a57"
                           x3="8.81191"
                           xFract="0.5694601"
                           y3="5.08434"
                           yFract="0.56680089"
                           z3="6.03594"
                           zFract="0.25067382"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="11.39453"
                           xFract="0.82000912"
                           y3="5.06811"
                           yFract="0.56499157"
                           z3="6.17765"
                           zFract="0.24993031"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="10.08464"
                           xFract="0.56793555"
                           y3="7.32727"
                           yFract="0.81684214"
                           z3="6.15756"
                           zFract="0.24898973"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.67118"
                           xFract="0.81887571"
                           y3="7.31082"
                           yFract="0.81500829"
                           z3="6.30475"
                           zFract="0.24849366"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.96505"
                           xFract="0.64530407"
                           y3="5.72585"
                           yFract="0.63831625"
                           z3="8.19533"
                           zFract="0.34808938"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="12.58167"
                           xFract="0.89735381"
                           y3="5.74178"
                           yFract="0.64009213"
                           z3="8.37102"
                           zFract="0.3487962"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="11.26113"
                           xFract="0.64365047"
                           y3="8.01175"
                           yFract="0.89314779"
                           z3="8.36315"
                           zFract="0.34844447"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.85285"
                           xFract="0.89503527"
                           y3="7.99631"
                           yFract="0.89142654"
                           z3="8.43498"
                           zFract="0.34437857"/>
                     <atom elementType="Br"
                           id="a65"
                           x3="4.09692"
                           xFract="0.14707588"
                           y3="4.48309"
                           yFract="0.4997737"
                           z3="9.8843"
                           zFract="0.44673173"/>
                     <atom elementType="Br"
                           id="a66"
                           x3="7.2227"
                           xFract="0.30159348"
                           y3="7.14168"
                           yFract="0.79615261"
                           z3="10.1251"
                           zFract="0.44462574"/>
                     <atom elementType="Br"
                           id="a67"
                           x3="7.38146"
                           xFract="0.57131464"
                           y3="2.56092"
                           yFract="0.28549069"
                           z3="9.99651"
                           zFract="0.44575504"/>
                     <atom elementType="Br"
                           id="a68"
                           x3="11.21825"
                           xFract="0.97536655"
                           y3="1.96359"
                           yFract="0.2189005"
                           z3="10.17358"
                           zFract="0.44403032"/>
                     <atom elementType="Br"
                           id="a69"
                           x3="11.10457"
                           xFract="0.71447828"
                           y3="6.46376"
                           yFract="0.72057827"
                           z3="10.34778"
                           zFract="0.44505603"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a33" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a4 a33" order="S"/>
                     <bond atomRefs2="a4 a19" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a17" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a34" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a26" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a33" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a41" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a37" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a21" order="S"/>
                     <bond atomRefs2="a8 a26" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a34" order="S"/>
                     <bond atomRefs2="a8 a38" order="S"/>
                     <bond atomRefs2="a8 a37" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a23" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a25" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a26" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a29" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a16 a67" order="S"/>
                     <bond atomRefs2="a16 a43" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a26" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a30" order="S"/>
                     <bond atomRefs2="a16 a47" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a23" order="S"/>
                     <bond atomRefs2="a19 a34" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a27" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a26" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a23" order="S"/>
                     <bond atomRefs2="a22 a28" order="S"/>
                     <bond atomRefs2="a22 a24" order="S"/>
                     <bond atomRefs2="a22 a23" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a24" order="S"/>
                     <bond atomRefs2="a23 a59" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a57" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a30 a61" order="S"/>
                     <bond atomRefs2="a30 a47" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a66" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a61" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a33 a35" order="S"/>
                     <bond atomRefs2="a33 a34" order="S"/>
                     <bond atomRefs2="a33 a37" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a35" order="S"/>
                     <bond atomRefs2="a34 a38" order="S"/>
                     <bond atomRefs2="a34 a37" order="S"/>
                     <bond atomRefs2="a34 a36" order="S"/>
                     <bond atomRefs2="a35 a36" order="S"/>
                     <bond atomRefs2="a35 a39" order="S"/>
                     <bond atomRefs2="a35 a37" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a40" order="S"/>
                     <bond atomRefs2="a36 a39" order="S"/>
                     <bond atomRefs2="a36 a38" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a44" order="S"/>
                     <bond atomRefs2="a38 a40" order="S"/>
                     <bond atomRefs2="a38 a39" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a57" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a58" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a45 a67" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a46 a68" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a57" order="S"/>
                     <bond atomRefs2="a47 a61" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a47 a67" order="S"/>
                     <bond atomRefs2="a48 a68" order="S"/>
                     <bond atomRefs2="a48 a58" order="S"/>
                     <bond atomRefs2="a48 a62" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a61 a69" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a62 a69" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                     <bond atomRefs2="a63 a69" order="S"/>
                  </bondArray>
                  <formula concise="Br5Cu64">
                     <atomArray count="5 64" elementType="Br Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4466.463999999996</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.85">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">10.364410710831562</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">10.364412581405663</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.16843459"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.16843372"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.4184342"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.4184343"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.24343294"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.24343304"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.49343352"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.49343362"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.05371"
                           xFract="0.06879871"
                           y3="0.5953"
                           yFract="0.06636389"
                           z3="5.37025"
                           zFract="0.24917038"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="3.62273"
                           xFract="0.31729287"
                           y3="0.5924"
                           yFract="0.0660406"
                           z3="5.53147"
                           zFract="0.24936374"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="2.3542"
                           xFract="0.06957885"
                           y3="2.84505"
                           yFract="0.31716543"
                           z3="5.52795"
                           zFract="0.24909596"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.93822"
                           xFract="0.31885993"
                           y3="2.85409"
                           yFract="0.3181732"
                           z3="5.68214"
                           zFract="0.24889464"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.26216"
                           xFract="0.14895743"
                           y3="1.25539"
                           yFract="0.13995055"
                           z3="7.55946"
                           zFract="0.34780131"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="4.81283"
                           xFract="0.39611316"
                           y3="1.24465"
                           yFract="0.13875326"
                           z3="7.64209"
                           zFract="0.34435523"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="3.51123"
                           xFract="0.14662015"
                           y3="3.47177"
                           yFract="0.38703201"
                           z3="7.70407"
                           zFract="0.34731381"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.08766"
                           xFract="0.39458336"
                           y3="3.49133"
                           yFract="0.38921255"
                           z3="7.91682"
                           zFract="0.3498779"/>
                     <atom elementType="Cu"
                           id="a17"
                           x3="5.1870"
                           xFract="0.16843382"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a18"
                           x3="6.47529"
                           xFract="0.16843391"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a19"
                           x3="7.77327"
                           xFract="0.4184344"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a20"
                           x3="9.06156"
                           xFract="0.41843449"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="6.34936"
                           xFract="0.24343314"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="7.63765"
                           xFract="0.24343323"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="8.93563"
                           xFract="0.49343372"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="10.22391"
                           xFract="0.49343285"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="3.61656"
                           xFract="0.06674535"
                           y3="5.0935"
                           yFract="0.56782204"
                           z3="5.69392"
                           zFract="0.24952366"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.2230"
                           xFract="0.31981072"
                           y3="5.07342"
                           yFract="0.56558353"
                           z3="5.86744"
                           zFract="0.25021768"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.93556"
                           xFract="0.07132109"
                           y3="7.30712"
                           yFract="0.81459582"
                           z3="5.84867"
                           zFract="0.24931708"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.50989"
                           xFract="0.319274"
                           y3="7.32321"
                           yFract="0.81638953"
                           z3="5.98892"
                           zFract="0.24847468"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.79502"
                           xFract="0.14312105"
                           y3="5.76951"
                           yFract="0.64318346"
                           z3="7.88193"
                           zFract="0.34815797"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="7.39282"
                           xFract="0.39568165"
                           y3="5.74348"
                           yFract="0.64028164"
                           z3="8.03065"
                           zFract="0.34771754"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.05877"
                           xFract="0.14211673"
                           y3="7.98744"
                           yFract="0.89043771"
                           z3="8.02627"
                           zFract="0.34761278"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.68413"
                           xFract="0.39497022"
                           y3="8.00411"
                           yFract="0.89229608"
                           z3="8.19091"
                           zFract="0.34777214"/>
                     <atom elementType="Cu"
                           id="a33"
                           x3="7.78295"
                           xFract="0.66843382"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a34"
                           x3="9.07124"
                           xFract="0.66843391"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a35"
                           x3="10.36922"
                           xFract="0.9184344"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a36"
                           x3="11.65751"
                           xFract="0.91843449"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a37"
                           x3="8.94531"
                           xFract="0.74343314"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a38"
                           x3="10.2336"
                           xFract="0.74343323"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a39"
                           x3="11.53158"
                           xFract="0.99343372"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a40"
                           x3="12.81986"
                           xFract="0.99343285"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a41"
                           x3="6.25293"
                           xFract="0.57214188"
                           y3="0.58156"
                           yFract="0.06483216"
                           z3="5.68886"
                           zFract="0.24921325"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="8.82222"
                           xFract="0.81830873"
                           y3="0.62104"
                           yFract="0.06923338"
                           z3="5.85718"
                           zFract="0.24966981"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="7.50075"
                           xFract="0.56697885"
                           y3="2.84665"
                           yFract="0.31734379"
                           z3="5.8425"
                           zFract="0.24907376"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.09317"
                           xFract="0.81783047"
                           y3="2.84203"
                           yFract="0.31682876"
                           z3="5.99936"
                           zFract="0.2489969"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.38573"
                           xFract="0.64583034"
                           y3="1.22648"
                           yFract="0.13672767"
                           z3="7.88998"
                           zFract="0.34864936"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="9.96665"
                           xFract="0.89500667"
                           y3="1.23201"
                           yFract="0.13734415"
                           z3="8.0463"
                           zFract="0.34856327"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="8.67948"
                           xFract="0.64392263"
                           y3="3.5129"
                           yFract="0.39161717"
                           z3="8.02635"
                           zFract="0.34752744"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.25569"
                           xFract="0.89292133"
                           y3="3.51343"
                           yFract="0.39167625"
                           z3="8.17374"
                           zFract="0.34704225"/>
                     <atom elementType="Cu"
                           id="a49"
                           x3="10.35953"
                           xFract="0.66843401"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.90692"
                           zFract="0.05000395"/>
                     <atom elementType="Cu"
                           id="a50"
                           x3="11.64782"
                           xFract="0.66843411"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.0652"
                           zFract="0.05000409"/>
                     <atom elementType="Cu"
                           id="a51"
                           x3="12.9458"
                           xFract="0.91843459"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="2.0652"
                           zFract="0.05000408"/>
                     <atom elementType="Cu"
                           id="a52"
                           x3="14.23408"
                           xFract="0.91843372"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.22348"
                           zFract="0.05000424"/>
                     <atom elementType="Cu"
                           id="a53"
                           x3="11.52189"
                           xFract="0.74343333"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.1228"
                           zFract="0.15000418"/>
                     <atom elementType="Cu"
                           id="a54"
                           x3="12.81018"
                           xFract="0.74343343"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.28107"
                           zFract="0.15000385"/>
                     <atom elementType="Cu"
                           id="a55"
                           x3="14.10815"
                           xFract="0.99343294"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.28107"
                           zFract="0.15000386"/>
                     <atom elementType="Cu"
                           id="a56"
                           x3="15.39644"
                           xFract="0.99343304"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.43935"
                           zFract="0.150004"/>
                     <atom elementType="Cu"
                           id="a57"
                           x3="8.8127"
                           xFract="0.56938209"
                           y3="5.08712"
                           yFract="0.5671108"
                           z3="6.03495"
                           zFract="0.25062022"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="11.39599"
                           xFract="0.82008528"
                           y3="5.06928"
                           yFract="0.565122"
                           z3="6.1775"
                           zFract="0.24991707"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="10.08483"
                           xFract="0.56790782"
                           y3="7.3281"
                           yFract="0.81693466"
                           z3="6.15824"
                           zFract="0.24901986"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.67236"
                           xFract="0.81896534"
                           y3="7.31126"
                           yFract="0.81505735"
                           z3="6.3050"
                           zFract="0.24850131"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.96769"
                           xFract="0.64534047"
                           y3="5.72979"
                           yFract="0.63875548"
                           z3="8.19331"
                           zFract="0.34797994"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="12.58263"
                           xFract="0.89728668"
                           y3="5.74466"
                           yFract="0.64041319"
                           z3="8.37261"
                           zFract="0.34886359"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="11.26134"
                           xFract="0.64361357"
                           y3="8.01278"
                           yFract="0.89326261"
                           z3="8.36448"
                           zFract="0.34850485"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.8546"
                           xFract="0.89499175"
                           y3="8.00014"
                           yFract="0.89185351"
                           z3="8.43652"
                           zFract="0.34443973"/>
                     <atom elementType="Br"
                           id="a65"
                           x3="4.09508"
                           xFract="0.1467342"
                           y3="4.48604"
                           yFract="0.50010256"
                           z3="9.8833"
                           zFract="0.44668496"/>
                     <atom elementType="Br"
                           id="a66"
                           x3="7.22042"
                           xFract="0.30128034"
                           y3="7.14335"
                           yFract="0.79633878"
                           z3="10.12523"
                           zFract="0.44463566"/>
                     <atom elementType="Br"
                           id="a67"
                           x3="7.38224"
                           xFract="0.57094246"
                           y3="2.56898"
                           yFract="0.28638922"
                           z3="9.99536"
                           zFract="0.44568511"/>
                     <atom elementType="Br"
                           id="a68"
                           x3="11.21801"
                           xFract="0.97524673"
                           y3="1.96533"
                           yFract="0.21909447"
                           z3="10.17185"
                           zFract="0.44394654"/>
                     <atom elementType="Br"
                           id="a69"
                           x3="11.10253"
                           xFract="0.71418001"
                           y3="6.46558"
                           yFract="0.72078116"
                           z3="10.34927"
                           zFract="0.44512913"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a33" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a4 a33" order="S"/>
                     <bond atomRefs2="a4 a19" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a17" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a34" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a26" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a33" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a41" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a37" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a21" order="S"/>
                     <bond atomRefs2="a8 a26" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a34" order="S"/>
                     <bond atomRefs2="a8 a38" order="S"/>
                     <bond atomRefs2="a8 a37" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a23" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a25" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a26" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a29" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a16 a67" order="S"/>
                     <bond atomRefs2="a16 a43" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a26" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a30" order="S"/>
                     <bond atomRefs2="a16 a47" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a23" order="S"/>
                     <bond atomRefs2="a19 a34" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a27" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a26" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a23" order="S"/>
                     <bond atomRefs2="a22 a28" order="S"/>
                     <bond atomRefs2="a22 a24" order="S"/>
                     <bond atomRefs2="a22 a23" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a24" order="S"/>
                     <bond atomRefs2="a23 a59" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a57" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a30 a61" order="S"/>
                     <bond atomRefs2="a30 a47" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a66" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a61" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a33 a35" order="S"/>
                     <bond atomRefs2="a33 a34" order="S"/>
                     <bond atomRefs2="a33 a37" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a35" order="S"/>
                     <bond atomRefs2="a34 a38" order="S"/>
                     <bond atomRefs2="a34 a37" order="S"/>
                     <bond atomRefs2="a34 a36" order="S"/>
                     <bond atomRefs2="a35 a36" order="S"/>
                     <bond atomRefs2="a35 a39" order="S"/>
                     <bond atomRefs2="a35 a37" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a40" order="S"/>
                     <bond atomRefs2="a36 a39" order="S"/>
                     <bond atomRefs2="a36 a38" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a44" order="S"/>
                     <bond atomRefs2="a38 a40" order="S"/>
                     <bond atomRefs2="a38 a39" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a57" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a58" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a45 a67" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a46 a68" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a57" order="S"/>
                     <bond atomRefs2="a47 a61" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a47 a67" order="S"/>
                     <bond atomRefs2="a48 a68" order="S"/>
                     <bond atomRefs2="a48 a58" order="S"/>
                     <bond atomRefs2="a48 a62" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a61 a69" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a62 a69" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                     <bond atomRefs2="a63 a69" order="S"/>
                  </bondArray>
                  <formula concise="Br5Cu64">
                     <atomArray count="5 64" elementType="Br Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4466.463999999996</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.86">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">10.364410710831562</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">10.364412581405663</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.16843459"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.16843372"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.4184342"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.4184343"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.24343294"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.24343304"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.49343352"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.49343362"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.05569"
                           xFract="0.06896845"
                           y3="0.59569"
                           yFract="0.06640736"
                           z3="5.37124"
                           zFract="0.24921069"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="3.62368"
                           xFract="0.31726864"
                           y3="0.59449"
                           yFract="0.06627359"
                           z3="5.53274"
                           zFract="0.24941739"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="2.35617"
                           xFract="0.06973041"
                           y3="2.84575"
                           yFract="0.31724346"
                           z3="5.52755"
                           zFract="0.24907025"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.94115"
                           xFract="0.31901377"
                           y3="2.85642"
                           yFract="0.31843295"
                           z3="5.68145"
                           zFract="0.24884976"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.2643"
                           xFract="0.14908489"
                           y3="1.25682"
                           yFract="0.14010996"
                           z3="7.55994"
                           zFract="0.34781538"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="4.81559"
                           xFract="0.3961967"
                           y3="1.24795"
                           yFract="0.13912114"
                           z3="7.64123"
                           zFract="0.34430121"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="3.5139"
                           xFract="0.14666667"
                           y3="3.47558"
                           yFract="0.38745675"
                           z3="7.70296"
                           zFract="0.34724741"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.08819"
                           xFract="0.39447022"
                           y3="3.49429"
                           yFract="0.38954253"
                           z3="7.91556"
                           zFract="0.34981202"/>
                     <atom elementType="Cu"
                           id="a17"
                           x3="5.1870"
                           xFract="0.16843382"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a18"
                           x3="6.47529"
                           xFract="0.16843391"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a19"
                           x3="7.77327"
                           xFract="0.4184344"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a20"
                           x3="9.06156"
                           xFract="0.41843449"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="6.34936"
                           xFract="0.24343314"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="7.63765"
                           xFract="0.24343323"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="8.93563"
                           xFract="0.49343372"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="10.22391"
                           xFract="0.49343285"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="3.61789"
                           xFract="0.06682838"
                           y3="5.09432"
                           yFract="0.56791346"
                           z3="5.69477"
                           zFract="0.24955853"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.22411"
                           xFract="0.31970478"
                           y3="5.07726"
                           yFract="0.56601161"
                           z3="5.86818"
                           zFract="0.25024296"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.93516"
                           xFract="0.07116914"
                           y3="7.30916"
                           yFract="0.81482324"
                           z3="5.84967"
                           zFract="0.24936198"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.51059"
                           xFract="0.31918007"
                           y3="7.32612"
                           yFract="0.81671393"
                           z3="5.98879"
                           zFract="0.24846167"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.7960"
                           xFract="0.14294313"
                           y3="5.77442"
                           yFract="0.64373083"
                           z3="7.88148"
                           zFract="0.34812572"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="7.39549"
                           xFract="0.39573761"
                           y3="5.74712"
                           yFract="0.64068743"
                           z3="8.03048"
                           zFract="0.34769574"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.06003"
                           xFract="0.14199364"
                           y3="7.99185"
                           yFract="0.89092934"
                           z3="8.02724"
                           zFract="0.34764752"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.68482"
                           xFract="0.39479037"
                           y3="8.00855"
                           yFract="0.89279105"
                           z3="8.19496"
                           zFract="0.34795369"/>
                     <atom elementType="Cu"
                           id="a33"
                           x3="7.78295"
                           xFract="0.66843382"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a34"
                           x3="9.07124"
                           xFract="0.66843391"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a35"
                           x3="10.36922"
                           xFract="0.9184344"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a36"
                           x3="11.65751"
                           xFract="0.91843449"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a37"
                           x3="8.94531"
                           xFract="0.74343314"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a38"
                           x3="10.2336"
                           xFract="0.74343323"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a39"
                           x3="11.53158"
                           xFract="0.99343372"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a40"
                           x3="12.81986"
                           xFract="0.99343285"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a41"
                           x3="6.25494"
                           xFract="0.57228842"
                           y3="0.58242"
                           yFract="0.06492803"
                           z3="5.68988"
                           zFract="0.2492541"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="8.82421"
                           xFract="0.81831173"
                           y3="0.62445"
                           yFract="0.06961352"
                           z3="5.85685"
                           zFract="0.24964281"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="7.50293"
                           xFract="0.56706852"
                           y3="2.84883"
                           yFract="0.31758682"
                           z3="5.84105"
                           zFract="0.24899546"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.09517"
                           xFract="0.81788275"
                           y3="2.84457"
                           yFract="0.31711192"
                           z3="5.99926"
                           zFract="0.24898217"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.38847"
                           xFract="0.64584364"
                           y3="1.23101"
                           yFract="0.13723267"
                           z3="7.88719"
                           zFract="0.34850234"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="9.96847"
                           xFract="0.89492494"
                           y3="1.23665"
                           yFract="0.13786142"
                           z3="8.04514"
                           zFract="0.34849557"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="8.68197"
                           xFract="0.64396896"
                           y3="3.5164"
                           yFract="0.39200735"
                           z3="8.02495"
                           zFract="0.3474484"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.25834"
                           xFract="0.89294037"
                           y3="3.5177"
                           yFract="0.39215227"
                           z3="8.17174"
                           zFract="0.34693317"/>
                     <atom elementType="Cu"
                           id="a49"
                           x3="10.35953"
                           xFract="0.66843401"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.90692"
                           zFract="0.05000395"/>
                     <atom elementType="Cu"
                           id="a50"
                           x3="11.64782"
                           xFract="0.66843411"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.0652"
                           zFract="0.05000409"/>
                     <atom elementType="Cu"
                           id="a51"
                           x3="12.9458"
                           xFract="0.91843459"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="2.0652"
                           zFract="0.05000408"/>
                     <atom elementType="Cu"
                           id="a52"
                           x3="14.23408"
                           xFract="0.91843372"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.22348"
                           zFract="0.05000424"/>
                     <atom elementType="Cu"
                           id="a53"
                           x3="11.52189"
                           xFract="0.74343333"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.1228"
                           zFract="0.15000418"/>
                     <atom elementType="Cu"
                           id="a54"
                           x3="12.81018"
                           xFract="0.74343343"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.28107"
                           zFract="0.15000385"/>
                     <atom elementType="Cu"
                           id="a55"
                           x3="14.10815"
                           xFract="0.99343294"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.28107"
                           zFract="0.15000386"/>
                     <atom elementType="Cu"
                           id="a56"
                           x3="15.39644"
                           xFract="0.99343304"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.43935"
                           zFract="0.150004"/>
                     <atom elementType="Cu"
                           id="a57"
                           x3="8.81258"
                           xFract="0.56926053"
                           y3="5.0891"
                           yFract="0.56733153"
                           z3="6.03394"
                           zFract="0.25056964"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="11.39755"
                           xFract="0.8200606"
                           y3="5.07244"
                           yFract="0.56547428"
                           z3="6.17835"
                           zFract="0.24994737"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="10.08728"
                           xFract="0.56809134"
                           y3="7.32906"
                           yFract="0.81704168"
                           z3="6.1597"
                           zFract="0.24908003"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.67261"
                           xFract="0.81879015"
                           y3="7.31485"
                           yFract="0.81545756"
                           z3="6.30534"
                           zFract="0.24851062"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.97028"
                           xFract="0.64528264"
                           y3="5.73534"
                           yFract="0.6393742"
                           z3="8.19293"
                           zFract="0.34794528"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="12.58304"
                           xFract="0.89700645"
                           y3="5.75042"
                           yFract="0.64105531"
                           z3="8.37546"
                           zFract="0.34898716"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="11.26353"
                           xFract="0.64354928"
                           y3="8.01775"
                           yFract="0.89381666"
                           z3="8.3644"
                           zFract="0.34848646"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.85503"
                           xFract="0.89479453"
                           y3="8.00444"
                           yFract="0.89233287"
                           z3="8.4377"
                           zFract="0.34448695"/>
                     <atom elementType="Br"
                           id="a65"
                           x3="4.09293"
                           xFract="0.14631424"
                           y3="4.48986"
                           yFract="0.50052841"
                           z3="9.8823"
                           zFract="0.44663764"/>
                     <atom elementType="Br"
                           id="a66"
                           x3="7.21673"
                           xFract="0.30071541"
                           y3="7.1471"
                           yFract="0.79675683"
                           z3="10.12473"
                           zFract="0.44461647"/>
                     <atom elementType="Br"
                           id="a67"
                           x3="7.38357"
                           xFract="0.57055458"
                           y3="2.57828"
                           yFract="0.28742598"
                           z3="10.00035"
                           zFract="0.44590101"/>
                     <atom elementType="Br"
                           id="a68"
                           x3="11.21796"
                           xFract="0.97500922"
                           y3="1.96952"
                           yFract="0.21956157"
                           z3="10.17246"
                           zFract="0.44396845"/>
                     <atom elementType="Br"
                           id="a69"
                           x3="11.0993"
                           xFract="0.71355293"
                           y3="6.47125"
                           yFract="0.72141325"
                           z3="10.35082"
                           zFract="0.44520206"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a33" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a4 a33" order="S"/>
                     <bond atomRefs2="a4 a19" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a17" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a34" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a26" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a33" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a41" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a37" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a21" order="S"/>
                     <bond atomRefs2="a8 a26" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a34" order="S"/>
                     <bond atomRefs2="a8 a38" order="S"/>
                     <bond atomRefs2="a8 a37" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a23" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a25" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a26" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a29" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a16 a67" order="S"/>
                     <bond atomRefs2="a16 a43" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a26" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a30" order="S"/>
                     <bond atomRefs2="a16 a47" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a23" order="S"/>
                     <bond atomRefs2="a19 a34" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a27" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a26" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a23" order="S"/>
                     <bond atomRefs2="a22 a28" order="S"/>
                     <bond atomRefs2="a22 a24" order="S"/>
                     <bond atomRefs2="a22 a23" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a24" order="S"/>
                     <bond atomRefs2="a23 a59" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a57" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a30 a61" order="S"/>
                     <bond atomRefs2="a30 a47" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a66" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a61" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a33 a35" order="S"/>
                     <bond atomRefs2="a33 a34" order="S"/>
                     <bond atomRefs2="a33 a37" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a35" order="S"/>
                     <bond atomRefs2="a34 a38" order="S"/>
                     <bond atomRefs2="a34 a37" order="S"/>
                     <bond atomRefs2="a34 a36" order="S"/>
                     <bond atomRefs2="a35 a36" order="S"/>
                     <bond atomRefs2="a35 a39" order="S"/>
                     <bond atomRefs2="a35 a37" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a40" order="S"/>
                     <bond atomRefs2="a36 a39" order="S"/>
                     <bond atomRefs2="a36 a38" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a44" order="S"/>
                     <bond atomRefs2="a38 a40" order="S"/>
                     <bond atomRefs2="a38 a39" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a57" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a58" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a45 a67" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a46 a68" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a57" order="S"/>
                     <bond atomRefs2="a47 a61" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a47 a67" order="S"/>
                     <bond atomRefs2="a48 a68" order="S"/>
                     <bond atomRefs2="a48 a58" order="S"/>
                     <bond atomRefs2="a48 a62" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a61 a69" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a62 a69" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                     <bond atomRefs2="a63 a69" order="S"/>
                  </bondArray>
                  <formula concise="Br5Cu64">
                     <atomArray count="5 64" elementType="Br Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4466.463999999996</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.87">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">10.364410710831562</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">10.364412581405663</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.16843459"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.16843372"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.4184342"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.4184343"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.24343294"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.24343304"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.49343352"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.49343362"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.05639"
                           xFract="0.06902779"
                           y3="0.59584"
                           yFract="0.06642409"
                           z3="5.3716"
                           zFract="0.2492254"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="3.62402"
                           xFract="0.31725986"
                           y3="0.59524"
                           yFract="0.0663572"
                           z3="5.53319"
                           zFract="0.24943637"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="2.35687"
                           xFract="0.06978363"
                           y3="2.84601"
                           yFract="0.31727245"
                           z3="5.52741"
                           zFract="0.24906119"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.94219"
                           xFract="0.31906821"
                           y3="2.85725"
                           yFract="0.31852548"
                           z3="5.6812"
                           zFract="0.24883358"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.26506"
                           xFract="0.14913003"
                           y3="1.25733"
                           yFract="0.14016682"
                           z3="7.56011"
                           zFract="0.34782035"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="4.81657"
                           xFract="0.39622591"
                           y3="1.24913"
                           yFract="0.13925268"
                           z3="7.64092"
                           zFract="0.34428179"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="3.51485"
                           xFract="0.14668298"
                           y3="3.47694"
                           yFract="0.38760836"
                           z3="7.70257"
                           zFract="0.34722401"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.08838"
                           xFract="0.39442973"
                           y3="3.49535"
                           yFract="0.3896607"
                           z3="7.91511"
                           zFract="0.34978848"/>
                     <atom elementType="Cu"
                           id="a17"
                           x3="5.1870"
                           xFract="0.16843382"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a18"
                           x3="6.47529"
                           xFract="0.16843391"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a19"
                           x3="7.77327"
                           xFract="0.4184344"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a20"
                           x3="9.06156"
                           xFract="0.41843449"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="6.34936"
                           xFract="0.24343314"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="7.63765"
                           xFract="0.24343323"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="8.93563"
                           xFract="0.49343372"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="10.22391"
                           xFract="0.49343285"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="3.61837"
                           xFract="0.06685868"
                           y3="5.09461"
                           yFract="0.56794579"
                           z3="5.69507"
                           zFract="0.24957081"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.2245"
                           xFract="0.31966696"
                           y3="5.07862"
                           yFract="0.56616322"
                           z3="5.86844"
                           zFract="0.25025182"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.93502"
                           xFract="0.07111563"
                           y3="7.30988"
                           yFract="0.8149035"
                           z3="5.85003"
                           zFract="0.24937815"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.51084"
                           xFract="0.31914648"
                           y3="7.32716"
                           yFract="0.81682987"
                           z3="5.98875"
                           zFract="0.24845733"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.79635"
                           xFract="0.14288033"
                           y3="5.77616"
                           yFract="0.6439248"
                           z3="7.88132"
                           zFract="0.34811426"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="7.39644"
                           xFract="0.39575781"
                           y3="5.74841"
                           yFract="0.64083124"
                           z3="8.03042"
                           zFract="0.34768802"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.06048"
                           xFract="0.14194995"
                           y3="7.99342"
                           yFract="0.89110436"
                           z3="8.02759"
                           zFract="0.3476601"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.68507"
                           xFract="0.39472679"
                           y3="8.01013"
                           yFract="0.89296719"
                           z3="8.1964"
                           zFract="0.34801823"/>
                     <atom elementType="Cu"
                           id="a33"
                           x3="7.78295"
                           xFract="0.66843382"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a34"
                           x3="9.07124"
                           xFract="0.66843391"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a35"
                           x3="10.36922"
                           xFract="0.9184344"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a36"
                           x3="11.65751"
                           xFract="0.91843449"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a37"
                           x3="8.94531"
                           xFract="0.74343314"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a38"
                           x3="10.2336"
                           xFract="0.74343323"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a39"
                           x3="11.53158"
                           xFract="0.99343372"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a40"
                           x3="12.81986"
                           xFract="0.99343285"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a41"
                           x3="6.25565"
                           xFract="0.57234039"
                           y3="0.58272"
                           yFract="0.06496147"
                           z3="5.69024"
                           zFract="0.24926853"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="8.82492"
                           xFract="0.81831261"
                           y3="0.62567"
                           yFract="0.06974953"
                           z3="5.85674"
                           zFract="0.24963354"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="7.5037"
                           xFract="0.56709964"
                           y3="2.84961"
                           yFract="0.31767377"
                           z3="5.84054"
                           zFract="0.24896789"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.09588"
                           xFract="0.81790085"
                           y3="2.84548"
                           yFract="0.31721336"
                           z3="5.99923"
                           zFract="0.24897719"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.38945"
                           xFract="0.64584897"
                           y3="1.23262"
                           yFract="0.13741215"
                           z3="7.88619"
                           zFract="0.34844967"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="9.96912"
                           xFract="0.89489614"
                           y3="1.2383"
                           yFract="0.13804536"
                           z3="8.04473"
                           zFract="0.34847161"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="8.68285"
                           xFract="0.64398461"
                           y3="3.51765"
                           yFract="0.3921467"
                           z3="8.02445"
                           zFract="0.3474202"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.25928"
                           xFract="0.89294683"
                           y3="3.51922"
                           yFract="0.39232172"
                           z3="8.17103"
                           zFract="0.34689444"/>
                     <atom elementType="Cu"
                           id="a49"
                           x3="10.35953"
                           xFract="0.66843401"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.90692"
                           zFract="0.05000395"/>
                     <atom elementType="Cu"
                           id="a50"
                           x3="11.64782"
                           xFract="0.66843411"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.0652"
                           zFract="0.05000409"/>
                     <atom elementType="Cu"
                           id="a51"
                           x3="12.9458"
                           xFract="0.91843459"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="2.0652"
                           zFract="0.05000408"/>
                     <atom elementType="Cu"
                           id="a52"
                           x3="14.23408"
                           xFract="0.91843372"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.22348"
                           zFract="0.05000424"/>
                     <atom elementType="Cu"
                           id="a53"
                           x3="11.52189"
                           xFract="0.74343333"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.1228"
                           zFract="0.15000418"/>
                     <atom elementType="Cu"
                           id="a54"
                           x3="12.81018"
                           xFract="0.74343343"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.28107"
                           zFract="0.15000385"/>
                     <atom elementType="Cu"
                           id="a55"
                           x3="14.10815"
                           xFract="0.99343294"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.28107"
                           zFract="0.15000386"/>
                     <atom elementType="Cu"
                           id="a56"
                           x3="15.39644"
                           xFract="0.99343304"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.43935"
                           zFract="0.150004"/>
                     <atom elementType="Cu"
                           id="a57"
                           x3="8.81254"
                           xFract="0.56921724"
                           y3="5.08981"
                           yFract="0.56741068"
                           z3="6.03358"
                           zFract="0.25055159"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="11.3981"
                           xFract="0.82005101"
                           y3="5.07357"
                           yFract="0.56560025"
                           z3="6.17865"
                           zFract="0.24995804"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="10.08815"
                           xFract="0.56815656"
                           y3="7.3294"
                           yFract="0.81707959"
                           z3="6.16022"
                           zFract="0.24910147"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.67269"
                           xFract="0.81872736"
                           y3="7.31612"
                           yFract="0.81559914"
                           z3="6.30547"
                           zFract="0.2485144"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.97121"
                           xFract="0.64526314"
                           y3="5.73731"
                           yFract="0.63959381"
                           z3="8.1928"
                           zFract="0.34793318"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="12.58318"
                           xFract="0.89690615"
                           y3="5.75247"
                           yFract="0.64128385"
                           z3="8.37647"
                           zFract="0.34903095"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="11.26431"
                           xFract="0.64352638"
                           y3="8.01952"
                           yFract="0.89401398"
                           z3="8.36437"
                           zFract="0.34847984"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.85519"
                           xFract="0.89472503"
                           y3="8.00597"
                           yFract="0.89250343"
                           z3="8.43812"
                           zFract="0.34450373"/>
                     <atom elementType="Br"
                           id="a65"
                           x3="4.09216"
                           xFract="0.14616429"
                           y3="4.49122"
                           yFract="0.50068003"
                           z3="9.88195"
                           zFract="0.44662109"/>
                     <atom elementType="Br"
                           id="a66"
                           x3="7.21542"
                           xFract="0.30051437"
                           y3="7.14844"
                           yFract="0.79690621"
                           z3="10.12455"
                           zFract="0.44460952"/>
                     <atom elementType="Br"
                           id="a67"
                           x3="7.38404"
                           xFract="0.57041676"
                           y3="2.58158"
                           yFract="0.28779386"
                           z3="10.00212"
                           zFract="0.4459776"/>
                     <atom elementType="Br"
                           id="a68"
                           x3="11.21795"
                           xFract="0.97492551"
                           y3="1.97101"
                           yFract="0.21972768"
                           z3="10.17268"
                           zFract="0.44397636"/>
                     <atom elementType="Br"
                           id="a69"
                           x3="11.09815"
                           xFract="0.71332959"
                           y3="6.47327"
                           yFract="0.72163844"
                           z3="10.35138"
                           zFract="0.44522841"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a33" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a4 a33" order="S"/>
                     <bond atomRefs2="a4 a19" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a17" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a34" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a26" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a33" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a41" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a37" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a21" order="S"/>
                     <bond atomRefs2="a8 a26" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a34" order="S"/>
                     <bond atomRefs2="a8 a38" order="S"/>
                     <bond atomRefs2="a8 a37" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a23" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a25" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a26" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a29" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a16 a67" order="S"/>
                     <bond atomRefs2="a16 a43" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a26" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a30" order="S"/>
                     <bond atomRefs2="a16 a47" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a23" order="S"/>
                     <bond atomRefs2="a19 a34" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a27" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a26" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a23" order="S"/>
                     <bond atomRefs2="a22 a28" order="S"/>
                     <bond atomRefs2="a22 a24" order="S"/>
                     <bond atomRefs2="a22 a23" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a24" order="S"/>
                     <bond atomRefs2="a23 a59" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a57" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a30 a61" order="S"/>
                     <bond atomRefs2="a30 a47" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a66" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a61" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a33 a35" order="S"/>
                     <bond atomRefs2="a33 a34" order="S"/>
                     <bond atomRefs2="a33 a37" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a35" order="S"/>
                     <bond atomRefs2="a34 a38" order="S"/>
                     <bond atomRefs2="a34 a37" order="S"/>
                     <bond atomRefs2="a34 a36" order="S"/>
                     <bond atomRefs2="a35 a36" order="S"/>
                     <bond atomRefs2="a35 a39" order="S"/>
                     <bond atomRefs2="a35 a37" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a40" order="S"/>
                     <bond atomRefs2="a36 a39" order="S"/>
                     <bond atomRefs2="a36 a38" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a44" order="S"/>
                     <bond atomRefs2="a38 a40" order="S"/>
                     <bond atomRefs2="a38 a39" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a57" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a58" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a45 a67" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a46 a68" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a57" order="S"/>
                     <bond atomRefs2="a47 a61" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a47 a67" order="S"/>
                     <bond atomRefs2="a48 a68" order="S"/>
                     <bond atomRefs2="a48 a58" order="S"/>
                     <bond atomRefs2="a48 a62" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a61 a69" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a62 a69" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                     <bond atomRefs2="a63 a69" order="S"/>
                  </bondArray>
                  <formula concise="Br5Cu64">
                     <atomArray count="5 64" elementType="Br Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4466.463999999996</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.88">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">10.364410710831562</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">10.364412581405663</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.16843459"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.16843372"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.4184342"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.4184343"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.24343294"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.24343304"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.49343352"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.49343362"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.05648"
                           xFract="0.06898429"
                           y3="0.59678"
                           yFract="0.06652888"
                           z3="5.37167"
                           zFract="0.24922687"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="3.62594"
                           xFract="0.31738159"
                           y3="0.59639"
                           yFract="0.0664854"
                           z3="5.53281"
                           zFract="0.24941099"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="2.35768"
                           xFract="0.06980085"
                           y3="2.84711"
                           yFract="0.31739508"
                           z3="5.52743"
                           zFract="0.24905796"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.94389"
                           xFract="0.31918034"
                           y3="2.85819"
                           yFract="0.31863027"
                           z3="5.67943"
                           zFract="0.24874365"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.2638"
                           xFract="0.14889106"
                           y3="1.25944"
                           yFract="0.14040204"
                           z3="7.56205"
                           zFract="0.34791193"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="4.81782"
                           xFract="0.39613961"
                           y3="1.25286"
                           yFract="0.1396685"
                           z3="7.64236"
                           zFract="0.34433985"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="3.51658"
                           xFract="0.14675026"
                           y3="3.47874"
                           yFract="0.38780902"
                           z3="7.69976"
                           zFract="0.34708352"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.08801"
                           xFract="0.39438341"
                           y3="3.49554"
                           yFract="0.38968188"
                           z3="7.91613"
                           zFract="0.34983732"/>
                     <atom elementType="Cu"
                           id="a17"
                           x3="5.1870"
                           xFract="0.16843382"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a18"
                           x3="6.47529"
                           xFract="0.16843391"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a19"
                           x3="7.77327"
                           xFract="0.4184344"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a20"
                           x3="9.06156"
                           xFract="0.41843449"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="6.34936"
                           xFract="0.24343314"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="7.63765"
                           xFract="0.24343323"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="8.93563"
                           xFract="0.49343372"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="10.22391"
                           xFract="0.49343285"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="3.61879"
                           xFract="0.0668754"
                           y3="5.09504"
                           yFract="0.56799372"
                           z3="5.69494"
                           zFract="0.24956275"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.22558"
                           xFract="0.3196925"
                           y3="5.08004"
                           yFract="0.56632153"
                           z3="5.86827"
                           zFract="0.25023831"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.93516"
                           xFract="0.07100144"
                           y3="7.31218"
                           yFract="0.81515991"
                           z3="5.84984"
                           zFract="0.24936495"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.51216"
                           xFract="0.31917246"
                           y3="7.32899"
                           yFract="0.81703388"
                           z3="5.99069"
                           zFract="0.24854193"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.7973"
                           xFract="0.14268507"
                           y3="5.78133"
                           yFract="0.64450115"
                           z3="7.88175"
                           zFract="0.34812316"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="7.39865"
                           xFract="0.39582594"
                           y3="5.75103"
                           yFract="0.64112331"
                           z3="8.02855"
                           zFract="0.3475891"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.06202"
                           xFract="0.14191778"
                           y3="7.99668"
                           yFract="0.89146779"
                           z3="8.02694"
                           zFract="0.34761956"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.68585"
                           xFract="0.39465781"
                           y3="8.01273"
                           yFract="0.89325704"
                           z3="8.19718"
                           zFract="0.34804841"/>
                     <atom elementType="Cu"
                           id="a33"
                           x3="7.78295"
                           xFract="0.66843382"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a34"
                           x3="9.07124"
                           xFract="0.66843391"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a35"
                           x3="10.36922"
                           xFract="0.9184344"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a36"
                           x3="11.65751"
                           xFract="0.91843449"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a37"
                           x3="8.94531"
                           xFract="0.74343314"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a38"
                           x3="10.2336"
                           xFract="0.74343323"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a39"
                           x3="11.53158"
                           xFract="0.99343372"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a40"
                           x3="12.81986"
                           xFract="0.99343285"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a41"
                           x3="6.25469"
                           xFract="0.57215264"
                           y3="0.58443"
                           yFract="0.0651521"
                           z3="5.69169"
                           zFract="0.24933681"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="8.82662"
                           xFract="0.81836644"
                           y3="0.62766"
                           yFract="0.06997137"
                           z3="5.85555"
                           zFract="0.2495692"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="7.50525"
                           xFract="0.5672056"
                           y3="2.8504"
                           yFract="0.31776184"
                           z3="5.8402"
                           zFract="0.24894607"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.09747"
                           xFract="0.81799846"
                           y3="2.84649"
                           yFract="0.31732596"
                           z3="5.99916"
                           zFract="0.24896761"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.39186"
                           xFract="0.64580094"
                           y3="1.23768"
                           yFract="0.13797624"
                           z3="7.88746"
                           zFract="0.34849415"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="9.9699"
                           xFract="0.8947994"
                           y3="1.2414"
                           yFract="0.13839095"
                           z3="8.04456"
                           zFract="0.34845617"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="8.68227"
                           xFract="0.6438397"
                           y3="3.51925"
                           yFract="0.39232507"
                           z3="8.02543"
                           zFract="0.34746541"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.26212"
                           xFract="0.8931525"
                           y3="3.52046"
                           yFract="0.39245996"
                           z3="8.17115"
                           zFract="0.34688984"/>
                     <atom elementType="Cu"
                           id="a49"
                           x3="10.35953"
                           xFract="0.66843401"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.90692"
                           zFract="0.05000395"/>
                     <atom elementType="Cu"
                           id="a50"
                           x3="11.64782"
                           xFract="0.66843411"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.0652"
                           zFract="0.05000409"/>
                     <atom elementType="Cu"
                           id="a51"
                           x3="12.9458"
                           xFract="0.91843459"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="2.0652"
                           zFract="0.05000408"/>
                     <atom elementType="Cu"
                           id="a52"
                           x3="14.23408"
                           xFract="0.91843372"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.22348"
                           zFract="0.05000424"/>
                     <atom elementType="Cu"
                           id="a53"
                           x3="11.52189"
                           xFract="0.74343333"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.1228"
                           zFract="0.15000418"/>
                     <atom elementType="Cu"
                           id="a54"
                           x3="12.81018"
                           xFract="0.74343343"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.28107"
                           zFract="0.15000385"/>
                     <atom elementType="Cu"
                           id="a55"
                           x3="14.10815"
                           xFract="0.99343294"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.28107"
                           zFract="0.15000386"/>
                     <atom elementType="Cu"
                           id="a56"
                           x3="15.39644"
                           xFract="0.99343304"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.43935"
                           zFract="0.150004"/>
                     <atom elementType="Cu"
                           id="a57"
                           x3="8.81305"
                           xFract="0.56922989"
                           y3="5.09047"
                           yFract="0.56748426"
                           z3="6.03413"
                           zFract="0.25057495"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="11.39912"
                           xFract="0.82000412"
                           y3="5.07619"
                           yFract="0.56589233"
                           z3="6.17887"
                           zFract="0.2499611"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="10.08843"
                           xFract="0.56806368"
                           y3="7.33156"
                           yFract="0.81732038"
                           z3="6.16074"
                           zFract="0.24912157"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.67366"
                           xFract="0.81870618"
                           y3="7.31819"
                           yFract="0.8158299"
                           z3="6.30606"
                           zFract="0.24853596"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.9702"
                           xFract="0.64506333"
                           y3="5.73915"
                           yFract="0.63979894"
                           z3="8.19519"
                           zFract="0.34804571"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="12.58407"
                           xFract="0.89678338"
                           y3="5.75623"
                           yFract="0.64170301"
                           z3="8.37769"
                           zFract="0.34907963"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="11.26672"
                           xFract="0.64341228"
                           y3="8.02577"
                           yFract="0.89471073"
                           z3="8.36469"
                           zFract="0.34847753"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.85431"
                           xFract="0.89450447"
                           y3="8.00841"
                           yFract="0.89277544"
                           z3="8.43775"
                           zFract="0.34448475"/>
                     <atom elementType="Br"
                           id="a65"
                           x3="4.09302"
                           xFract="0.14604362"
                           y3="4.49489"
                           yFract="0.50108916"
                           z3="9.88107"
                           zFract="0.44657098"/>
                     <atom elementType="Br"
                           id="a66"
                           x3="7.21561"
                           xFract="0.30035503"
                           y3="7.15164"
                           yFract="0.79726295"
                           z3="10.12676"
                           zFract="0.44470783"/>
                     <atom elementType="Br"
                           id="a67"
                           x3="7.38638"
                           xFract="0.5703653"
                           y3="2.58658"
                           yFract="0.28835126"
                           z3="10.00209"
                           zFract="0.44596108"/>
                     <atom elementType="Br"
                           id="a68"
                           x3="11.21977"
                           xFract="0.97482601"
                           y3="1.97597"
                           yFract="0.22028062"
                           z3="10.17324"
                           zFract="0.44398923"/>
                     <atom elementType="Br"
                           id="a69"
                           x3="11.09544"
                           xFract="0.71272722"
                           y3="6.4794"
                           yFract="0.72232181"
                           z3="10.34972"
                           zFract="0.44514772"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a33" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a4 a33" order="S"/>
                     <bond atomRefs2="a4 a19" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a17" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a34" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a26" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a33" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a41" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a37" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a21" order="S"/>
                     <bond atomRefs2="a8 a26" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a34" order="S"/>
                     <bond atomRefs2="a8 a38" order="S"/>
                     <bond atomRefs2="a8 a37" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a23" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a25" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a26" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a29" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a16 a67" order="S"/>
                     <bond atomRefs2="a16 a43" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a26" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a30" order="S"/>
                     <bond atomRefs2="a16 a47" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a23" order="S"/>
                     <bond atomRefs2="a19 a34" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a27" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a26" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a23" order="S"/>
                     <bond atomRefs2="a22 a28" order="S"/>
                     <bond atomRefs2="a22 a24" order="S"/>
                     <bond atomRefs2="a22 a23" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a24" order="S"/>
                     <bond atomRefs2="a23 a59" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a57" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a30 a61" order="S"/>
                     <bond atomRefs2="a30 a47" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a66" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a61" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a33 a35" order="S"/>
                     <bond atomRefs2="a33 a34" order="S"/>
                     <bond atomRefs2="a33 a37" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a35" order="S"/>
                     <bond atomRefs2="a34 a38" order="S"/>
                     <bond atomRefs2="a34 a37" order="S"/>
                     <bond atomRefs2="a34 a36" order="S"/>
                     <bond atomRefs2="a35 a36" order="S"/>
                     <bond atomRefs2="a35 a39" order="S"/>
                     <bond atomRefs2="a35 a37" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a40" order="S"/>
                     <bond atomRefs2="a36 a39" order="S"/>
                     <bond atomRefs2="a36 a38" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a44" order="S"/>
                     <bond atomRefs2="a38 a40" order="S"/>
                     <bond atomRefs2="a38 a39" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a57" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a58" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a45 a67" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a46 a68" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a57" order="S"/>
                     <bond atomRefs2="a47 a61" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a47 a67" order="S"/>
                     <bond atomRefs2="a48 a68" order="S"/>
                     <bond atomRefs2="a48 a58" order="S"/>
                     <bond atomRefs2="a48 a62" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a61 a69" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a62 a69" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                     <bond atomRefs2="a63 a69" order="S"/>
                  </bondArray>
                  <formula concise="Br5Cu64">
                     <atomArray count="5 64" elementType="Br Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4466.463999999996</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.89">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">10.364410710831562</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">10.364412581405663</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.16843459"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.16843372"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.4184342"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.4184343"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.24343294"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.24343304"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.49343352"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.49343362"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.05651"
                           xFract="0.06896609"
                           y3="0.59716"
                           yFract="0.06657124"
                           z3="5.3717"
                           zFract="0.24922756"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="3.62671"
                           xFract="0.31743048"
                           y3="0.59685"
                           yFract="0.06653668"
                           z3="5.53266"
                           zFract="0.24940093"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="2.3580"
                           xFract="0.06980735"
                           y3="2.84755"
                           yFract="0.31744413"
                           z3="5.52743"
                           zFract="0.2490563"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.94457"
                           xFract="0.31922553"
                           y3="2.85856"
                           yFract="0.31867152"
                           z3="5.67873"
                           zFract="0.24870807"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.2633"
                           xFract="0.14879553"
                           y3="1.26029"
                           yFract="0.1404968"
                           z3="7.56282"
                           zFract="0.34794826"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="4.81832"
                           xFract="0.3961052"
                           y3="1.25435"
                           yFract="0.13983461"
                           z3="7.64294"
                           zFract="0.34436327"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="3.51727"
                           xFract="0.14677642"
                           y3="3.47947"
                           yFract="0.3878904"
                           z3="7.69864"
                           zFract="0.3470275"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.08786"
                           xFract="0.39436502"
                           y3="3.49561"
                           yFract="0.38968969"
                           z3="7.91653"
                           zFract="0.3498565"/>
                     <atom elementType="Cu"
                           id="a17"
                           x3="5.1870"
                           xFract="0.16843382"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a18"
                           x3="6.47529"
                           xFract="0.16843391"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a19"
                           x3="7.77327"
                           xFract="0.4184344"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a20"
                           x3="9.06156"
                           xFract="0.41843449"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="6.34936"
                           xFract="0.24343314"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="7.63765"
                           xFract="0.24343323"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="8.93563"
                           xFract="0.49343372"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="10.22391"
                           xFract="0.49343285"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="3.61896"
                           xFract="0.06688239"
                           y3="5.09521"
                           yFract="0.56801267"
                           z3="5.69488"
                           zFract="0.24955914"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.22601"
                           xFract="0.31970241"
                           y3="5.08061"
                           yFract="0.56638507"
                           z3="5.8682"
                           zFract="0.25023282"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.93522"
                           xFract="0.0709567"
                           y3="7.31309"
                           yFract="0.81526135"
                           z3="5.84976"
                           zFract="0.24935949"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.51268"
                           xFract="0.31918219"
                           y3="7.32972"
                           yFract="0.81711526"
                           z3="5.99147"
                           zFract="0.24857599"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.79768"
                           xFract="0.14260685"
                           y3="5.7834"
                           yFract="0.64473191"
                           z3="7.88192"
                           zFract="0.34812662"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="7.39954"
                           xFract="0.39585367"
                           y3="5.75208"
                           yFract="0.64124037"
                           z3="8.0278"
                           zFract="0.34754941"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.06264"
                           xFract="0.14190553"
                           y3="7.99798"
                           yFract="0.89161271"
                           z3="8.02668"
                           zFract="0.34760335"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.68616"
                           xFract="0.39463002"
                           y3="8.01377"
                           yFract="0.89337298"
                           z3="8.19749"
                           zFract="0.3480604"/>
                     <atom elementType="Cu"
                           id="a33"
                           x3="7.78295"
                           xFract="0.66843382"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a34"
                           x3="9.07124"
                           xFract="0.66843391"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a35"
                           x3="10.36922"
                           xFract="0.9184344"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a36"
                           x3="11.65751"
                           xFract="0.91843449"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a37"
                           x3="8.94531"
                           xFract="0.74343314"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a38"
                           x3="10.2336"
                           xFract="0.74343323"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a39"
                           x3="11.53158"
                           xFract="0.99343372"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a40"
                           x3="12.81986"
                           xFract="0.99343285"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a41"
                           x3="6.2543"
                           xFract="0.57207717"
                           y3="0.58511"
                           yFract="0.06522791"
                           z3="5.69226"
                           zFract="0.24936367"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="8.8273"
                           xFract="0.8183883"
                           y3="0.62845"
                           yFract="0.07005944"
                           z3="5.85508"
                           zFract="0.24954376"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="7.50586"
                           xFract="0.56724679"
                           y3="2.85072"
                           yFract="0.31779752"
                           z3="5.84007"
                           zFract="0.24893764"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.09811"
                           xFract="0.81803811"
                           y3="2.84689"
                           yFract="0.31737055"
                           z3="5.99914"
                           zFract="0.24896416"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.39282"
                           xFract="0.64578157"
                           y3="1.2397"
                           yFract="0.13820143"
                           z3="7.88796"
                           zFract="0.34851158"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="9.97021"
                           xFract="0.8947605"
                           y3="1.24264"
                           yFract="0.13852918"
                           z3="8.04449"
                           zFract="0.3484499"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="8.68203"
                           xFract="0.6437804"
                           y3="3.5199"
                           yFract="0.39239753"
                           z3="8.02582"
                           zFract="0.3474834"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.26326"
                           xFract="0.89323493"
                           y3="3.52096"
                           yFract="0.3925157"
                           z3="8.1712"
                           zFract="0.34688807"/>
                     <atom elementType="Cu"
                           id="a49"
                           x3="10.35953"
                           xFract="0.66843401"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.90692"
                           zFract="0.05000395"/>
                     <atom elementType="Cu"
                           id="a50"
                           x3="11.64782"
                           xFract="0.66843411"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.0652"
                           zFract="0.05000409"/>
                     <atom elementType="Cu"
                           id="a51"
                           x3="12.9458"
                           xFract="0.91843459"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="2.0652"
                           zFract="0.05000408"/>
                     <atom elementType="Cu"
                           id="a52"
                           x3="14.23408"
                           xFract="0.91843372"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.22348"
                           zFract="0.05000424"/>
                     <atom elementType="Cu"
                           id="a53"
                           x3="11.52189"
                           xFract="0.74343333"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.1228"
                           zFract="0.15000418"/>
                     <atom elementType="Cu"
                           id="a54"
                           x3="12.81018"
                           xFract="0.74343343"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.28107"
                           zFract="0.15000385"/>
                     <atom elementType="Cu"
                           id="a55"
                           x3="14.10815"
                           xFract="0.99343294"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.28107"
                           zFract="0.15000386"/>
                     <atom elementType="Cu"
                           id="a56"
                           x3="15.39644"
                           xFract="0.99343304"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.43935"
                           zFract="0.150004"/>
                     <atom elementType="Cu"
                           id="a57"
                           x3="8.81325"
                           xFract="0.56923423"
                           y3="5.09074"
                           yFract="0.56751436"
                           z3="6.03435"
                           zFract="0.2505843"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="11.39953"
                           xFract="0.81998545"
                           y3="5.07724"
                           yFract="0.56600938"
                           z3="6.17895"
                           zFract="0.24996193"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="10.08854"
                           xFract="0.56802655"
                           y3="7.33242"
                           yFract="0.81741626"
                           z3="6.16094"
                           zFract="0.24912924"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.67404"
                           xFract="0.81869682"
                           y3="7.31902"
                           yFract="0.81592243"
                           z3="6.3063"
                           zFract="0.2485448"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.9698"
                           xFract="0.64498357"
                           y3="5.73989"
                           yFract="0.63988143"
                           z3="8.19614"
                           zFract="0.34809042"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="12.58443"
                           xFract="0.89673488"
                           y3="5.75773"
                           yFract="0.64187023"
                           z3="8.37818"
                           zFract="0.34909919"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="11.26769"
                           xFract="0.64336721"
                           y3="8.02827"
                           yFract="0.89498943"
                           z3="8.36482"
                           zFract="0.34847669"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.85396"
                           xFract="0.89441678"
                           y3="8.00938"
                           yFract="0.89288358"
                           z3="8.4376"
                           zFract="0.34447707"/>
                     <atom elementType="Br"
                           id="a65"
                           x3="4.09336"
                           xFract="0.14599485"
                           y3="4.49636"
                           yFract="0.50125303"
                           z3="9.88072"
                           zFract="0.44655104"/>
                     <atom elementType="Br"
                           id="a66"
                           x3="7.21569"
                           xFract="0.30029113"
                           y3="7.15293"
                           yFract="0.79740676"
                           z3="10.12764"
                           zFract="0.44474694"/>
                     <atom elementType="Br"
                           id="a67"
                           x3="7.38731"
                           xFract="0.57034414"
                           y3="2.58858"
                           yFract="0.28857422"
                           z3="10.00208"
                           zFract="0.44595459"/>
                     <atom elementType="Br"
                           id="a68"
                           x3="11.22049"
                           xFract="0.9747851"
                           y3="1.97796"
                           yFract="0.22050246"
                           z3="10.17346"
                           zFract="0.4439942"/>
                     <atom elementType="Br"
                           id="a69"
                           x3="11.09436"
                           xFract="0.71248677"
                           y3="6.48185"
                           yFract="0.72259494"
                           z3="10.34906"
                           zFract="0.44511563"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a33" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a4 a33" order="S"/>
                     <bond atomRefs2="a4 a19" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a17" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a34" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a26" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a33" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a41" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a37" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a21" order="S"/>
                     <bond atomRefs2="a8 a26" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a34" order="S"/>
                     <bond atomRefs2="a8 a38" order="S"/>
                     <bond atomRefs2="a8 a37" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a23" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a25" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a26" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a29" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a16 a67" order="S"/>
                     <bond atomRefs2="a16 a43" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a26" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a30" order="S"/>
                     <bond atomRefs2="a16 a47" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a23" order="S"/>
                     <bond atomRefs2="a19 a34" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a27" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a26" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a23" order="S"/>
                     <bond atomRefs2="a22 a28" order="S"/>
                     <bond atomRefs2="a22 a24" order="S"/>
                     <bond atomRefs2="a22 a23" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a24" order="S"/>
                     <bond atomRefs2="a23 a59" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a57" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a30 a61" order="S"/>
                     <bond atomRefs2="a30 a47" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a66" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a61" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a33 a35" order="S"/>
                     <bond atomRefs2="a33 a34" order="S"/>
                     <bond atomRefs2="a33 a37" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a35" order="S"/>
                     <bond atomRefs2="a34 a38" order="S"/>
                     <bond atomRefs2="a34 a37" order="S"/>
                     <bond atomRefs2="a34 a36" order="S"/>
                     <bond atomRefs2="a35 a36" order="S"/>
                     <bond atomRefs2="a35 a39" order="S"/>
                     <bond atomRefs2="a35 a37" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a40" order="S"/>
                     <bond atomRefs2="a36 a39" order="S"/>
                     <bond atomRefs2="a36 a38" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a44" order="S"/>
                     <bond atomRefs2="a38 a40" order="S"/>
                     <bond atomRefs2="a38 a39" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a57" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a58" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a45 a67" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a46 a68" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a57" order="S"/>
                     <bond atomRefs2="a47 a61" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a47 a67" order="S"/>
                     <bond atomRefs2="a48 a68" order="S"/>
                     <bond atomRefs2="a48 a58" order="S"/>
                     <bond atomRefs2="a48 a62" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a61 a69" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a62 a69" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                     <bond atomRefs2="a63 a69" order="S"/>
                  </bondArray>
                  <formula concise="Br5Cu64">
                     <atomArray count="5 64" elementType="Br Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4466.463999999996</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.90">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">10.364410710831562</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">10.364412581405663</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.16843459"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.16843372"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.4184342"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.4184343"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.24343294"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.24343304"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.49343352"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.49343362"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.0577"
                           xFract="0.06894784"
                           y3="0.59956"
                           yFract="0.06683879"
                           z3="5.37112"
                           zFract="0.24919277"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="3.62611"
                           xFract="0.31727586"
                           y3="0.59859"
                           yFract="0.06673066"
                           z3="5.53397"
                           zFract="0.24946152"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="2.35807"
                           xFract="0.0697758"
                           y3="2.84824"
                           yFract="0.31752105"
                           z3="5.52719"
                           zFract="0.24904363"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.94584"
                           xFract="0.31930942"
                           y3="2.85926"
                           yFract="0.31874955"
                           z3="5.67781"
                           zFract="0.24865986"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.26393"
                           xFract="0.14873759"
                           y3="1.26243"
                           yFract="0.14073536"
                           z3="7.56307"
                           zFract="0.34795466"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="4.81664"
                           xFract="0.39575011"
                           y3="1.25782"
                           yFract="0.14022144"
                           z3="7.64538"
                           zFract="0.34447736"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="3.5186"
                           xFract="0.1467556"
                           y3="3.48216"
                           yFract="0.38819028"
                           z3="7.69687"
                           zFract="0.34693571"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.08723"
                           xFract="0.39414808"
                           y3="3.49842"
                           yFract="0.39000294"
                           z3="7.91737"
                           zFract="0.34989323"/>
                     <atom elementType="Cu"
                           id="a17"
                           x3="5.1870"
                           xFract="0.16843382"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a18"
                           x3="6.47529"
                           xFract="0.16843391"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a19"
                           x3="7.77327"
                           xFract="0.4184344"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a20"
                           x3="9.06156"
                           xFract="0.41843449"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="6.34936"
                           xFract="0.24343314"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="7.63765"
                           xFract="0.24343323"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="8.93563"
                           xFract="0.49343372"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="10.22391"
                           xFract="0.49343285"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="3.61963"
                           xFract="0.06681555"
                           y3="5.09758"
                           yFract="0.56827688"
                           z3="5.69467"
                           zFract="0.24954335"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.22623"
                           xFract="0.31972257"
                           y3="5.08063"
                           yFract="0.5663873"
                           z3="5.86833"
                           zFract="0.25023828"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.93619"
                           xFract="0.07098716"
                           y3="7.31423"
                           yFract="0.81538844"
                           z3="5.84904"
                           zFract="0.24932083"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.51359"
                           xFract="0.31922128"
                           y3="7.3306"
                           yFract="0.81721336"
                           z3="5.99157"
                           zFract="0.24857661"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.79939"
                           xFract="0.1425739"
                           y3="5.78697"
                           yFract="0.6451299"
                           z3="7.8823"
                           zFract="0.34813364"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="7.39928"
                           xFract="0.39566749"
                           y3="5.75498"
                           yFract="0.64156366"
                           z3="8.02798"
                           zFract="0.34755381"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.06372"
                           xFract="0.14188942"
                           y3="8.00015"
                           yFract="0.89185462"
                           z3="8.02711"
                           zFract="0.34761688"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.68757"
                           xFract="0.39459306"
                           y3="8.01689"
                           yFract="0.89372079"
                           z3="8.19722"
                           zFract="0.34803839"/>
                     <atom elementType="Cu"
                           id="a33"
                           x3="7.78295"
                           xFract="0.66843382"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a34"
                           x3="9.07124"
                           xFract="0.66843391"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a35"
                           x3="10.36922"
                           xFract="0.9184344"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a36"
                           x3="11.65751"
                           xFract="0.91843449"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a37"
                           x3="8.94531"
                           xFract="0.74343314"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a38"
                           x3="10.2336"
                           xFract="0.74343323"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a39"
                           x3="11.53158"
                           xFract="0.99343372"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a40"
                           x3="12.81986"
                           xFract="0.99343285"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a41"
                           x3="6.25467"
                           xFract="0.57194912"
                           y3="0.58806"
                           yFract="0.06555677"
                           z3="5.69277"
                           zFract="0.24938172"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="8.82669"
                           xFract="0.81827269"
                           y3="0.62947"
                           yFract="0.07017315"
                           z3="5.85521"
                           zFract="0.24954995"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="7.50643"
                           xFract="0.5672508"
                           y3="2.85164"
                           yFract="0.31790008"
                           z3="5.84106"
                           zFract="0.24898114"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.09925"
                           xFract="0.81804169"
                           y3="2.84881"
                           yFract="0.31758459"
                           z3="6.0001"
                           zFract="0.24900292"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.39496"
                           xFract="0.64580518"
                           y3="1.2430"
                           yFract="0.13856931"
                           z3="7.88967"
                           zFract="0.34858052"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="9.97049"
                           xFract="0.89468761"
                           y3="1.24444"
                           yFract="0.13872984"
                           z3="8.04464"
                           zFract="0.34845316"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="8.68319"
                           xFract="0.64375315"
                           y3="3.52241"
                           yFract="0.39267734"
                           z3="8.02666"
                           zFract="0.34751547"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.26383"
                           xFract="0.8931301"
                           y3="3.52384"
                           yFract="0.39283676"
                           z3="8.17146"
                           zFract="0.34689387"/>
                     <atom elementType="Cu"
                           id="a49"
                           x3="10.35953"
                           xFract="0.66843401"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.90692"
                           zFract="0.05000395"/>
                     <atom elementType="Cu"
                           id="a50"
                           x3="11.64782"
                           xFract="0.66843411"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.0652"
                           zFract="0.05000409"/>
                     <atom elementType="Cu"
                           id="a51"
                           x3="12.9458"
                           xFract="0.91843459"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="2.0652"
                           zFract="0.05000408"/>
                     <atom elementType="Cu"
                           id="a52"
                           x3="14.23408"
                           xFract="0.91843372"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.22348"
                           zFract="0.05000424"/>
                     <atom elementType="Cu"
                           id="a53"
                           x3="11.52189"
                           xFract="0.74343333"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.1228"
                           zFract="0.15000418"/>
                     <atom elementType="Cu"
                           id="a54"
                           x3="12.81018"
                           xFract="0.74343343"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.28107"
                           zFract="0.15000385"/>
                     <atom elementType="Cu"
                           id="a55"
                           x3="14.10815"
                           xFract="0.99343294"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.28107"
                           zFract="0.15000386"/>
                     <atom elementType="Cu"
                           id="a56"
                           x3="15.39644"
                           xFract="0.99343304"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.43935"
                           zFract="0.150004"/>
                     <atom elementType="Cu"
                           id="a57"
                           x3="8.81592"
                           xFract="0.56948288"
                           y3="5.09091"
                           yFract="0.56753331"
                           z3="6.03536"
                           zFract="0.25062393"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="11.39891"
                           xFract="0.81986721"
                           y3="5.07829"
                           yFract="0.56612644"
                           z3="6.18053"
                           zFract="0.25003646"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="10.08842"
                           xFract="0.56794776"
                           y3="7.33363"
                           yFract="0.81755115"
                           z3="6.16162"
                           zFract="0.24915963"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.67483"
                           xFract="0.81872321"
                           y3="7.31992"
                           yFract="0.81602276"
                           z3="6.30601"
                           zFract="0.24852734"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.96933"
                           xFract="0.64494092"
                           y3="5.73984"
                           yFract="0.63987586"
                           z3="8.1980"
                           zFract="0.34817956"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="12.58539"
                           xFract="0.89674161"
                           y3="5.75928"
                           yFract="0.64204302"
                           z3="8.3781"
                           zFract="0.34909006"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="11.26839"
                           xFract="0.64311058"
                           y3="8.03411"
                           yFract="0.89564047"
                           z3="8.3652"
                           zFract="0.34848283"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.85489"
                           xFract="0.89426123"
                           y3="8.0138"
                           yFract="0.89337632"
                           z3="8.43693"
                           zFract="0.34443541"/>
                     <atom elementType="Br"
                           id="a65"
                           x3="4.09445"
                           xFract="0.14578258"
                           y3="4.50208"
                           yFract="0.5018907"
                           z3="9.87816"
                           zFract="0.44641764"/>
                     <atom elementType="Br"
                           id="a66"
                           x3="7.21847"
                           xFract="0.30035273"
                           y3="7.15666"
                           yFract="0.79782258"
                           z3="10.12834"
                           zFract="0.44476569"/>
                     <atom elementType="Br"
                           id="a67"
                           x3="7.3910"
                           xFract="0.57064252"
                           y3="2.58963"
                           yFract="0.28869127"
                           z3="10.00172"
                           zFract="0.44592521"/>
                     <atom elementType="Br"
                           id="a68"
                           x3="11.22202"
                           xFract="0.97471809"
                           y3="1.98183"
                           yFract="0.22093389"
                           z3="10.17333"
                           zFract="0.44397719"/>
                     <atom elementType="Br"
                           id="a69"
                           x3="11.0909"
                           xFract="0.71168252"
                           y3="6.49031"
                           yFract="0.72353805"
                           z3="10.34772"
                           zFract="0.4450483"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a33" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a4 a33" order="S"/>
                     <bond atomRefs2="a4 a19" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a17" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a34" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a26" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a33" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a41" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a37" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a21" order="S"/>
                     <bond atomRefs2="a8 a26" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a34" order="S"/>
                     <bond atomRefs2="a8 a38" order="S"/>
                     <bond atomRefs2="a8 a37" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a23" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a25" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a26" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a29" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a16 a67" order="S"/>
                     <bond atomRefs2="a16 a43" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a26" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a30" order="S"/>
                     <bond atomRefs2="a16 a47" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a23" order="S"/>
                     <bond atomRefs2="a19 a34" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a27" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a26" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a23" order="S"/>
                     <bond atomRefs2="a22 a28" order="S"/>
                     <bond atomRefs2="a22 a24" order="S"/>
                     <bond atomRefs2="a22 a23" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a24" order="S"/>
                     <bond atomRefs2="a23 a59" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a57" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a30 a61" order="S"/>
                     <bond atomRefs2="a30 a47" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a66" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a61" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a33 a35" order="S"/>
                     <bond atomRefs2="a33 a34" order="S"/>
                     <bond atomRefs2="a33 a37" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a35" order="S"/>
                     <bond atomRefs2="a34 a38" order="S"/>
                     <bond atomRefs2="a34 a37" order="S"/>
                     <bond atomRefs2="a34 a36" order="S"/>
                     <bond atomRefs2="a35 a36" order="S"/>
                     <bond atomRefs2="a35 a39" order="S"/>
                     <bond atomRefs2="a35 a37" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a40" order="S"/>
                     <bond atomRefs2="a36 a39" order="S"/>
                     <bond atomRefs2="a36 a38" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a44" order="S"/>
                     <bond atomRefs2="a38 a40" order="S"/>
                     <bond atomRefs2="a38 a39" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a57" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a58" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a45 a67" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a46 a68" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a57" order="S"/>
                     <bond atomRefs2="a47 a61" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a47 a67" order="S"/>
                     <bond atomRefs2="a48 a68" order="S"/>
                     <bond atomRefs2="a48 a58" order="S"/>
                     <bond atomRefs2="a48 a62" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a61 a69" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a62 a69" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                     <bond atomRefs2="a63 a69" order="S"/>
                  </bondArray>
                  <formula concise="Br5Cu64">
                     <atomArray count="5 64" elementType="Br Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4466.463999999996</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.91">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">10.364410710831562</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">10.364412581405663</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.16843459"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.16843372"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.4184342"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.4184343"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.24343294"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.24343304"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.49343352"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.49343362"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.05809"
                           xFract="0.06894167"
                           y3="0.60035"
                           yFract="0.06692686"
                           z3="5.37093"
                           zFract="0.24918137"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="3.62592"
                           xFract="0.31722584"
                           y3="0.59916"
                           yFract="0.0667942"
                           z3="5.5344"
                           zFract="0.24948139"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="2.3581"
                           xFract="0.06976648"
                           y3="2.84846"
                           yFract="0.31754557"
                           z3="5.52712"
                           zFract="0.24903988"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.94626"
                           xFract="0.31933725"
                           y3="2.85949"
                           yFract="0.31877519"
                           z3="5.67751"
                           zFract="0.24864411"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.26414"
                           xFract="0.14871902"
                           y3="1.26313"
                           yFract="0.1408134"
                           z3="7.56316"
                           zFract="0.34795713"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="4.81609"
                           xFract="0.39563419"
                           y3="1.25895"
                           yFract="0.14034742"
                           z3="7.64618"
                           zFract="0.34451478"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="3.51904"
                           xFract="0.14674871"
                           y3="3.48305"
                           yFract="0.3882895"
                           z3="7.69629"
                           zFract="0.34690561"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.08703"
                           xFract="0.39407711"
                           y3="3.49935"
                           yFract="0.39010662"
                           z3="7.91764"
                           zFract="0.34990498"/>
                     <atom elementType="Cu"
                           id="a17"
                           x3="5.1870"
                           xFract="0.16843382"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a18"
                           x3="6.47529"
                           xFract="0.16843391"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a19"
                           x3="7.77327"
                           xFract="0.4184344"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a20"
                           x3="9.06156"
                           xFract="0.41843449"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="6.34936"
                           xFract="0.24343314"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="7.63765"
                           xFract="0.24343323"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="8.93563"
                           xFract="0.49343372"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="10.22391"
                           xFract="0.49343285"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="3.61986"
                           xFract="0.06679447"
                           y3="5.09836"
                           yFract="0.56836383"
                           z3="5.6946"
                           zFract="0.24953808"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.2263"
                           xFract="0.31972878"
                           y3="5.08064"
                           yFract="0.56638841"
                           z3="5.86837"
                           zFract="0.25023995"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.93651"
                           xFract="0.07099699"
                           y3="7.31461"
                           yFract="0.8154308"
                           z3="5.84881"
                           zFract="0.24930843"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.51388"
                           xFract="0.31923321"
                           y3="7.33089"
                           yFract="0.81724569"
                           z3="5.9916"
                           zFract="0.2485767"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.79995"
                           xFract="0.14256306"
                           y3="5.78814"
                           yFract="0.64526033"
                           z3="7.88243"
                           zFract="0.3481362"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="7.39919"
                           xFract="0.39560604"
                           y3="5.75593"
                           yFract="0.64166957"
                           z3="8.02804"
                           zFract="0.34755531"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.06408"
                           xFract="0.14188479"
                           y3="8.00086"
                           yFract="0.89193377"
                           z3="8.02725"
                           zFract="0.34762126"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.68804"
                           xFract="0.39458185"
                           y3="8.01791"
                           yFract="0.8938345"
                           z3="8.19713"
                           zFract="0.34803108"/>
                     <atom elementType="Cu"
                           id="a33"
                           x3="7.78295"
                           xFract="0.66843382"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a34"
                           x3="9.07124"
                           xFract="0.66843391"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a35"
                           x3="10.36922"
                           xFract="0.9184344"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a36"
                           x3="11.65751"
                           xFract="0.91843449"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a37"
                           x3="8.94531"
                           xFract="0.74343314"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a38"
                           x3="10.2336"
                           xFract="0.74343323"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a39"
                           x3="11.53158"
                           xFract="0.99343372"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a40"
                           x3="12.81986"
                           xFract="0.99343285"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a41"
                           x3="6.2548"
                           xFract="0.57190727"
                           y3="0.58904"
                           yFract="0.06566602"
                           z3="5.69293"
                           zFract="0.24938726"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="8.8265"
                           xFract="0.81823544"
                           y3="0.62981"
                           yFract="0.07021105"
                           z3="5.85526"
                           zFract="0.24955229"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="7.50661"
                           xFract="0.56725154"
                           y3="2.85194"
                           yFract="0.31793352"
                           z3="5.84139"
                           zFract="0.24899568"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.09962"
                           xFract="0.81804247"
                           y3="2.84944"
                           yFract="0.31765482"
                           z3="6.00041"
                           zFract="0.24901542"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.39566"
                           xFract="0.64581287"
                           y3="1.24408"
                           yFract="0.13868971"
                           z3="7.89022"
                           zFract="0.34860262"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="9.97058"
                           xFract="0.89466355"
                           y3="1.24503"
                           yFract="0.13879562"
                           z3="8.04469"
                           zFract="0.34845427"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="8.68357"
                           xFract="0.64374379"
                           y3="3.52324"
                           yFract="0.39276987"
                           z3="8.02693"
                           zFract="0.34752572"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.26402"
                           xFract="0.89309571"
                           y3="3.52479"
                           yFract="0.39294266"
                           z3="8.17155"
                           zFract="0.34689598"/>
                     <atom elementType="Cu"
                           id="a49"
                           x3="10.35953"
                           xFract="0.66843401"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.90692"
                           zFract="0.05000395"/>
                     <atom elementType="Cu"
                           id="a50"
                           x3="11.64782"
                           xFract="0.66843411"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.0652"
                           zFract="0.05000409"/>
                     <atom elementType="Cu"
                           id="a51"
                           x3="12.9458"
                           xFract="0.91843459"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="2.0652"
                           zFract="0.05000408"/>
                     <atom elementType="Cu"
                           id="a52"
                           x3="14.23408"
                           xFract="0.91843372"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.22348"
                           zFract="0.05000424"/>
                     <atom elementType="Cu"
                           id="a53"
                           x3="11.52189"
                           xFract="0.74343333"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.1228"
                           zFract="0.15000418"/>
                     <atom elementType="Cu"
                           id="a54"
                           x3="12.81018"
                           xFract="0.74343343"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.28107"
                           zFract="0.15000385"/>
                     <atom elementType="Cu"
                           id="a55"
                           x3="14.10815"
                           xFract="0.99343294"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.28107"
                           zFract="0.15000386"/>
                     <atom elementType="Cu"
                           id="a56"
                           x3="15.39644"
                           xFract="0.99343304"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.43935"
                           zFract="0.150004"/>
                     <atom elementType="Cu"
                           id="a57"
                           x3="8.8168"
                           xFract="0.56956517"
                           y3="5.09096"
                           yFract="0.56753888"
                           z3="6.03569"
                           zFract="0.25063686"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="11.39871"
                           xFract="0.81982844"
                           y3="5.07864"
                           yFract="0.56616545"
                           z3="6.18105"
                           zFract="0.25006097"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="10.08838"
                           xFract="0.56792224"
                           y3="7.33402"
                           yFract="0.81759462"
                           z3="6.16184"
                           zFract="0.24916947"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.67508"
                           xFract="0.81873127"
                           y3="7.32021"
                           yFract="0.81605509"
                           z3="6.30591"
                           zFract="0.24852142"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.96918"
                           xFract="0.64492753"
                           y3="5.73982"
                           yFract="0.63987363"
                           z3="8.19861"
                           zFract="0.34820878"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="12.5857"
                           xFract="0.89674325"
                           y3="5.75979"
                           yFract="0.64209988"
                           z3="8.37808"
                           zFract="0.34908737"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="11.26861"
                           xFract="0.64302522"
                           y3="8.03603"
                           yFract="0.89585451"
                           z3="8.36532"
                           zFract="0.34848465"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.8552"
                           xFract="0.89421067"
                           y3="8.01525"
                           yFract="0.89353797"
                           z3="8.43671"
                           zFract="0.34442172"/>
                     <atom elementType="Br"
                           id="a65"
                           x3="4.09481"
                           xFract="0.14571298"
                           y3="4.50396"
                           yFract="0.50210028"
                           z3="9.87733"
                           zFract="0.44637433"/>
                     <atom elementType="Br"
                           id="a66"
                           x3="7.21938"
                           xFract="0.30037239"
                           y3="7.15789"
                           yFract="0.7979597"
                           z3="10.12857"
                           zFract="0.44477185"/>
                     <atom elementType="Br"
                           id="a67"
                           x3="7.39222"
                           xFract="0.57074157"
                           y3="2.58997"
                           yFract="0.28872918"
                           z3="10.00161"
                           zFract="0.44591594"/>
                     <atom elementType="Br"
                           id="a68"
                           x3="11.22253"
                           xFract="0.97469686"
                           y3="1.9831"
                           yFract="0.22107547"
                           z3="10.17329"
                           zFract="0.44397172"/>
                     <atom elementType="Br"
                           id="a69"
                           x3="11.08977"
                           xFract="0.71141891"
                           y3="6.49309"
                           yFract="0.72384797"
                           z3="10.34728"
                           zFract="0.44502617"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a33" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a4 a33" order="S"/>
                     <bond atomRefs2="a4 a19" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a17" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a34" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a26" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a33" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a41" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a37" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a21" order="S"/>
                     <bond atomRefs2="a8 a26" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a34" order="S"/>
                     <bond atomRefs2="a8 a38" order="S"/>
                     <bond atomRefs2="a8 a37" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a23" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a25" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a26" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a29" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a16 a67" order="S"/>
                     <bond atomRefs2="a16 a43" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a26" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a30" order="S"/>
                     <bond atomRefs2="a16 a47" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a23" order="S"/>
                     <bond atomRefs2="a19 a34" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a27" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a26" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a23" order="S"/>
                     <bond atomRefs2="a22 a28" order="S"/>
                     <bond atomRefs2="a22 a24" order="S"/>
                     <bond atomRefs2="a22 a23" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a24" order="S"/>
                     <bond atomRefs2="a23 a59" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a57" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a30 a61" order="S"/>
                     <bond atomRefs2="a30 a47" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a66" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a61" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a33 a35" order="S"/>
                     <bond atomRefs2="a33 a34" order="S"/>
                     <bond atomRefs2="a33 a37" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a35" order="S"/>
                     <bond atomRefs2="a34 a38" order="S"/>
                     <bond atomRefs2="a34 a37" order="S"/>
                     <bond atomRefs2="a34 a36" order="S"/>
                     <bond atomRefs2="a35 a36" order="S"/>
                     <bond atomRefs2="a35 a39" order="S"/>
                     <bond atomRefs2="a35 a37" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a40" order="S"/>
                     <bond atomRefs2="a36 a39" order="S"/>
                     <bond atomRefs2="a36 a38" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a44" order="S"/>
                     <bond atomRefs2="a38 a40" order="S"/>
                     <bond atomRefs2="a38 a39" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a57" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a58" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a45 a67" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a46 a68" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a57" order="S"/>
                     <bond atomRefs2="a47 a61" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a47 a67" order="S"/>
                     <bond atomRefs2="a48 a68" order="S"/>
                     <bond atomRefs2="a48 a58" order="S"/>
                     <bond atomRefs2="a48 a62" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a61 a69" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a62 a69" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                     <bond atomRefs2="a63 a69" order="S"/>
                  </bondArray>
                  <formula concise="Br5Cu64">
                     <atomArray count="5 64" elementType="Br Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4466.463999999996</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.92">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">10.364410710831562</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">10.364412581405663</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.16843459"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.16843372"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.4184342"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.4184343"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.24343294"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.24343304"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.49343352"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.49343362"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.05829"
                           xFract="0.06888048"
                           y3="0.6018"
                           yFract="0.06708851"
                           z3="5.37105"
                           zFract="0.24918403"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="3.62533"
                           xFract="0.3170794"
                           y3="0.60077"
                           yFract="0.06697368"
                           z3="5.53559"
                           zFract="0.24953652"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="2.35849"
                           xFract="0.06967923"
                           y3="2.85071"
                           yFract="0.3177964"
                           z3="5.52654"
                           zFract="0.24900765"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.94605"
                           xFract="0.31924698"
                           y3="2.86075"
                           yFract="0.31891566"
                           z3="5.67826"
                           zFract="0.24867798"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.26484"
                           xFract="0.14860343"
                           y3="1.26643"
                           yFract="0.14118128"
                           z3="7.56291"
                           zFract="0.34793781"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="4.81497"
                           xFract="0.39531324"
                           y3="1.26278"
                           yFract="0.14077438"
                           z3="7.64715"
                           zFract="0.34455735"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="3.51862"
                           xFract="0.14647044"
                           y3="3.48733"
                           yFract="0.38876663"
                           z3="7.69464"
                           zFract="0.34682188"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.08772"
                           xFract="0.39388503"
                           y3="3.50401"
                           yFract="0.39062611"
                           z3="7.91799"
                           zFract="0.34991171"/>
                     <atom elementType="Cu"
                           id="a17"
                           x3="5.1870"
                           xFract="0.16843382"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a18"
                           x3="6.47529"
                           xFract="0.16843391"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a19"
                           x3="7.77327"
                           xFract="0.4184344"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a20"
                           x3="9.06156"
                           xFract="0.41843449"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="6.34936"
                           xFract="0.24343314"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="7.63765"
                           xFract="0.24343323"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="8.93563"
                           xFract="0.49343372"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="10.22391"
                           xFract="0.49343285"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="3.62011"
                           xFract="0.06669369"
                           y3="5.10061"
                           yFract="0.56861466"
                           z3="5.69404"
                           zFract="0.2495072"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.22712"
                           xFract="0.31977806"
                           y3="5.08118"
                           yFract="0.56644861"
                           z3="5.8687"
                           zFract="0.25025224"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.93845"
                           xFract="0.07112233"
                           y3="7.31573"
                           yFract="0.81555566"
                           z3="5.84896"
                           zFract="0.24930804"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.51383"
                           xFract="0.31924337"
                           y3="7.33062"
                           yFract="0.81721559"
                           z3="5.98983"
                           zFract="0.24849384"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.80169"
                           xFract="0.14248637"
                           y3="5.79255"
                           yFract="0.64575195"
                           z3="7.88068"
                           zFract="0.3480413"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="7.39815"
                           xFract="0.39536946"
                           y3="5.75838"
                           yFract="0.64194269"
                           z3="8.02931"
                           zFract="0.3476141"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.06463"
                           xFract="0.14181912"
                           y3="8.0030"
                           yFract="0.89217234"
                           z3="8.02764"
                           zFract="0.34763448"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.68968"
                           xFract="0.39460267"
                           y3="8.02039"
                           yFract="0.89411097"
                           z3="8.19647"
                           zFract="0.34799109"/>
                     <atom elementType="Cu"
                           id="a33"
                           x3="7.78295"
                           xFract="0.66843382"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a34"
                           x3="9.07124"
                           xFract="0.66843391"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a35"
                           x3="10.36922"
                           xFract="0.9184344"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a36"
                           x3="11.65751"
                           xFract="0.91843449"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a37"
                           x3="8.94531"
                           xFract="0.74343314"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a38"
                           x3="10.2336"
                           xFract="0.74343323"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a39"
                           x3="11.53158"
                           xFract="0.99343372"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a40"
                           x3="12.81986"
                           xFract="0.99343285"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a41"
                           x3="6.25519"
                           xFract="0.57184279"
                           y3="0.59088"
                           yFract="0.06587115"
                           z3="5.69357"
                           zFract="0.24941323"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="8.8257"
                           xFract="0.81806871"
                           y3="0.63142"
                           yFract="0.07039054"
                           z3="5.85535"
                           zFract="0.24955615"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="7.5072"
                           xFract="0.56719529"
                           y3="2.85398"
                           yFract="0.31816094"
                           z3="5.84277"
                           zFract="0.24905564"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.09957"
                           xFract="0.81799265"
                           y3="2.85025"
                           yFract="0.31774512"
                           z3="6.00087"
                           zFract="0.2490359"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.39519"
                           xFract="0.64564582"
                           y3="1.24627"
                           yFract="0.13893385"
                           z3="7.8902"
                           zFract="0.34859938"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="9.97249"
                           xFract="0.894756"
                           y3="1.24669"
                           yFract="0.13898067"
                           z3="8.04496"
                           zFract="0.34845872"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="8.68514"
                           xFract="0.64370175"
                           y3="3.52673"
                           yFract="0.39315893"
                           z3="8.02753"
                           zFract="0.34754365"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.26381"
                           xFract="0.8929327"
                           y3="3.52736"
                           yFract="0.39322917"
                           z3="8.17254"
                           zFract="0.34693897"/>
                     <atom elementType="Cu"
                           id="a49"
                           x3="10.35953"
                           xFract="0.66843401"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.90692"
                           zFract="0.05000395"/>
                     <atom elementType="Cu"
                           id="a50"
                           x3="11.64782"
                           xFract="0.66843411"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.0652"
                           zFract="0.05000409"/>
                     <atom elementType="Cu"
                           id="a51"
                           x3="12.9458"
                           xFract="0.91843459"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="2.0652"
                           zFract="0.05000408"/>
                     <atom elementType="Cu"
                           id="a52"
                           x3="14.23408"
                           xFract="0.91843372"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.22348"
                           zFract="0.05000424"/>
                     <atom elementType="Cu"
                           id="a53"
                           x3="11.52189"
                           xFract="0.74343333"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.1228"
                           zFract="0.15000418"/>
                     <atom elementType="Cu"
                           id="a54"
                           x3="12.81018"
                           xFract="0.74343343"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.28107"
                           zFract="0.15000385"/>
                     <atom elementType="Cu"
                           id="a55"
                           x3="14.10815"
                           xFract="0.99343294"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.28107"
                           zFract="0.15000386"/>
                     <atom elementType="Cu"
                           id="a56"
                           x3="15.39644"
                           xFract="0.99343304"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.43935"
                           zFract="0.150004"/>
                     <atom elementType="Cu"
                           id="a57"
                           x3="8.81767"
                           xFract="0.56956209"
                           y3="5.09253"
                           yFract="0.56771391"
                           z3="6.03637"
                           zFract="0.25066379"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="11.39924"
                           xFract="0.81983358"
                           y3="5.07947"
                           yFract="0.56625798"
                           z3="6.18172"
                           zFract="0.25008965"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="10.08947"
                           xFract="0.56795097"
                           y3="7.3354"
                           yFract="0.81774847"
                           z3="6.16258"
                           zFract="0.24919891"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.67436"
                           xFract="0.81860225"
                           y3="7.32128"
                           yFract="0.81617437"
                           z3="6.30572"
                           zFract="0.24851275"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.97029"
                           xFract="0.64490155"
                           y3="5.74222"
                           yFract="0.64014118"
                           z3="8.19988"
                           zFract="0.34826145"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="12.58593"
                           xFract="0.89663499"
                           y3="5.76214"
                           yFract="0.64236185"
                           z3="8.37759"
                           zFract="0.34905968"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="11.26852"
                           xFract="0.64282716"
                           y3="8.03944"
                           yFract="0.89623466"
                           z3="8.36427"
                           zFract="0.3484297"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.85751"
                           xFract="0.89428625"
                           y3="8.01791"
                           yFract="0.8938345"
                           z3="8.43652"
                           zFract="0.34440166"/>
                     <atom elementType="Br"
                           id="a65"
                           x3="4.09234"
                           xFract="0.14521267"
                           y3="4.50867"
                           yFract="0.50262535"
                           z3="9.87747"
                           zFract="0.44638019"/>
                     <atom elementType="Br"
                           id="a66"
                           x3="7.22199"
                           xFract="0.30047086"
                           y3="7.16066"
                           yFract="0.7982685"
                           z3="10.12828"
                           zFract="0.44474602"/>
                     <atom elementType="Br"
                           id="a67"
                           x3="7.39676"
                           xFract="0.57119653"
                           y3="2.58968"
                           yFract="0.28869685"
                           z3="10.00313"
                           zFract="0.44597499"/>
                     <atom elementType="Br"
                           id="a68"
                           x3="11.22495"
                           xFract="0.97461093"
                           y3="1.98886"
                           yFract="0.22171759"
                           z3="10.17411"
                           zFract="0.44399378"/>
                     <atom elementType="Br"
                           id="a69"
                           x3="11.0897"
                           xFract="0.71088516"
                           y3="6.50258"
                           yFract="0.72490591"
                           z3="10.34998"
                           zFract="0.44513783"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a33" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a4 a33" order="S"/>
                     <bond atomRefs2="a4 a19" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a17" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a34" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a26" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a33" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a41" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a37" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a21" order="S"/>
                     <bond atomRefs2="a8 a26" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a34" order="S"/>
                     <bond atomRefs2="a8 a38" order="S"/>
                     <bond atomRefs2="a8 a37" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a23" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a25" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a26" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a29" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a16 a67" order="S"/>
                     <bond atomRefs2="a16 a43" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a26" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a30" order="S"/>
                     <bond atomRefs2="a16 a47" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a23" order="S"/>
                     <bond atomRefs2="a19 a34" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a27" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a26" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a23" order="S"/>
                     <bond atomRefs2="a22 a28" order="S"/>
                     <bond atomRefs2="a22 a24" order="S"/>
                     <bond atomRefs2="a22 a23" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a24" order="S"/>
                     <bond atomRefs2="a23 a59" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a57" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a30 a61" order="S"/>
                     <bond atomRefs2="a30 a47" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a66" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a61" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a33 a35" order="S"/>
                     <bond atomRefs2="a33 a34" order="S"/>
                     <bond atomRefs2="a33 a37" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a35" order="S"/>
                     <bond atomRefs2="a34 a38" order="S"/>
                     <bond atomRefs2="a34 a37" order="S"/>
                     <bond atomRefs2="a34 a36" order="S"/>
                     <bond atomRefs2="a35 a36" order="S"/>
                     <bond atomRefs2="a35 a39" order="S"/>
                     <bond atomRefs2="a35 a37" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a40" order="S"/>
                     <bond atomRefs2="a36 a39" order="S"/>
                     <bond atomRefs2="a36 a38" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a44" order="S"/>
                     <bond atomRefs2="a38 a40" order="S"/>
                     <bond atomRefs2="a38 a39" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a57" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a58" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a45 a67" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a46 a68" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a57" order="S"/>
                     <bond atomRefs2="a47 a61" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a47 a67" order="S"/>
                     <bond atomRefs2="a48 a68" order="S"/>
                     <bond atomRefs2="a48 a58" order="S"/>
                     <bond atomRefs2="a48 a62" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a61 a69" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a62 a69" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                     <bond atomRefs2="a63 a69" order="S"/>
                  </bondArray>
                  <formula concise="Br5Cu64">
                     <atomArray count="5 64" elementType="Br Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4466.463999999996</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.93">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">10.364410710831562</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">10.364412581405663</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.16843459"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.16843372"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.4184342"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.4184343"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.24343294"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.24343304"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.49343352"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.49343362"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.05838"
                           xFract="0.06885364"
                           y3="0.60244"
                           yFract="0.06715985"
                           z3="5.37111"
                           zFract="0.24918553"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="3.62508"
                           xFract="0.31701636"
                           y3="0.60147"
                           yFract="0.06705172"
                           z3="5.53612"
                           zFract="0.24956106"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="2.35867"
                           xFract="0.0696411"
                           y3="2.85171"
                           yFract="0.31790788"
                           z3="5.52628"
                           zFract="0.2489932"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.94596"
                           xFract="0.31920718"
                           y3="2.86131"
                           yFract="0.31897809"
                           z3="5.6786"
                           zFract="0.24869333"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.26514"
                           xFract="0.14855136"
                           y3="1.26789"
                           yFract="0.14134404"
                           z3="7.56281"
                           zFract="0.34792979"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="4.81447"
                           xFract="0.39517106"
                           y3="1.26447"
                           yFract="0.14096278"
                           z3="7.64758"
                           zFract="0.34457625"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="3.51843"
                           xFract="0.14634712"
                           y3="3.48922"
                           yFract="0.38897733"
                           z3="7.69391"
                           zFract="0.34678485"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.08803"
                           xFract="0.3938006"
                           y3="3.50607"
                           yFract="0.39085576"
                           z3="7.91814"
                           zFract="0.34991445"/>
                     <atom elementType="Cu"
                           id="a17"
                           x3="5.1870"
                           xFract="0.16843382"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a18"
                           x3="6.47529"
                           xFract="0.16843391"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a19"
                           x3="7.77327"
                           xFract="0.4184344"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a20"
                           x3="9.06156"
                           xFract="0.41843449"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="6.34936"
                           xFract="0.24343314"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="7.63765"
                           xFract="0.24343323"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="8.93563"
                           xFract="0.49343372"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="10.22391"
                           xFract="0.49343285"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="3.62023"
                           xFract="0.06665031"
                           y3="5.1016"
                           yFract="0.56872503"
                           z3="5.69379"
                           zFract="0.24949341"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.22748"
                           xFract="0.31980009"
                           y3="5.08141"
                           yFract="0.56647425"
                           z3="5.86885"
                           zFract="0.25025789"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.93931"
                           xFract="0.07117825"
                           y3="7.31622"
                           yFract="0.81561028"
                           z3="5.84903"
                           zFract="0.24930804"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.5138"
                           xFract="0.31924658"
                           y3="7.33051"
                           yFract="0.81720333"
                           z3="5.98906"
                           zFract="0.24845781"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.80246"
                           xFract="0.14245251"
                           y3="5.7945"
                           yFract="0.64596934"
                           z3="7.87991"
                           zFract="0.34799952"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="7.39769"
                           xFract="0.39526502"
                           y3="5.75946"
                           yFract="0.64206309"
                           z3="8.02986"
                           zFract="0.34763955"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.06487"
                           xFract="0.14179012"
                           y3="8.00394"
                           yFract="0.89227713"
                           z3="8.02782"
                           zFract="0.34764071"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.69041"
                           xFract="0.3946127"
                           y3="8.02148"
                           yFract="0.89423248"
                           z3="8.19617"
                           zFract="0.34797302"/>
                     <atom elementType="Cu"
                           id="a33"
                           x3="7.78295"
                           xFract="0.66843382"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a34"
                           x3="9.07124"
                           xFract="0.66843391"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a35"
                           x3="10.36922"
                           xFract="0.9184344"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a36"
                           x3="11.65751"
                           xFract="0.91843449"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a37"
                           x3="8.94531"
                           xFract="0.74343314"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a38"
                           x3="10.2336"
                           xFract="0.74343323"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a39"
                           x3="11.53158"
                           xFract="0.99343372"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a40"
                           x3="12.81986"
                           xFract="0.99343285"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a41"
                           x3="6.25536"
                           xFract="0.57181424"
                           y3="0.59169"
                           yFract="0.06596145"
                           z3="5.69386"
                           zFract="0.24942506"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="8.82535"
                           xFract="0.81799545"
                           y3="0.63213"
                           yFract="0.07046969"
                           z3="5.8554"
                           zFract="0.24955833"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="7.50746"
                           xFract="0.56717044"
                           y3="2.85488"
                           yFract="0.31826127"
                           z3="5.84338"
                           zFract="0.24908214"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.09955"
                           xFract="0.81797073"
                           y3="2.85061"
                           yFract="0.31778525"
                           z3="6.00107"
                           zFract="0.24904479"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.39497"
                           xFract="0.64557069"
                           y3="1.24724"
                           yFract="0.13904199"
                           z3="7.89019"
                           zFract="0.34859792"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="9.97333"
                           xFract="0.89479666"
                           y3="1.24742"
                           yFract="0.13906205"
                           z3="8.04508"
                           zFract="0.34846073"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="8.68584"
                           xFract="0.6436839"
                           y3="3.52827"
                           yFract="0.39333061"
                           z3="8.02779"
                           zFract="0.34755132"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.26371"
                           xFract="0.89286028"
                           y3="3.52849"
                           yFract="0.39335514"
                           z3="8.17298"
                           zFract="0.34695812"/>
                     <atom elementType="Cu"
                           id="a49"
                           x3="10.35953"
                           xFract="0.66843401"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.90692"
                           zFract="0.05000395"/>
                     <atom elementType="Cu"
                           id="a50"
                           x3="11.64782"
                           xFract="0.66843411"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.0652"
                           zFract="0.05000409"/>
                     <atom elementType="Cu"
                           id="a51"
                           x3="12.9458"
                           xFract="0.91843459"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="2.0652"
                           zFract="0.05000408"/>
                     <atom elementType="Cu"
                           id="a52"
                           x3="14.23408"
                           xFract="0.91843372"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.22348"
                           zFract="0.05000424"/>
                     <atom elementType="Cu"
                           id="a53"
                           x3="11.52189"
                           xFract="0.74343333"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.1228"
                           zFract="0.15000418"/>
                     <atom elementType="Cu"
                           id="a54"
                           x3="12.81018"
                           xFract="0.74343343"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.28107"
                           zFract="0.15000385"/>
                     <atom elementType="Cu"
                           id="a55"
                           x3="14.10815"
                           xFract="0.99343294"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.28107"
                           zFract="0.15000386"/>
                     <atom elementType="Cu"
                           id="a56"
                           x3="15.39644"
                           xFract="0.99343304"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.43935"
                           zFract="0.150004"/>
                     <atom elementType="Cu"
                           id="a57"
                           x3="8.81805"
                           xFract="0.5695605"
                           y3="5.09322"
                           yFract="0.56779083"
                           z3="6.03667"
                           zFract="0.25067569"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="11.39947"
                           xFract="0.81983582"
                           y3="5.07983"
                           yFract="0.56629811"
                           z3="6.18202"
                           zFract="0.25010253"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="10.08995"
                           xFract="0.56796349"
                           y3="7.33601"
                           yFract="0.81781647"
                           z3="6.16291"
                           zFract="0.24921207"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.67403"
                           xFract="0.8185437"
                           y3="7.32176"
                           yFract="0.81622788"
                           z3="6.30563"
                           zFract="0.24850866"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.97077"
                           xFract="0.64488909"
                           y3="5.74328"
                           yFract="0.64025935"
                           z3="8.20045"
                           zFract="0.34828517"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="12.58603"
                           xFract="0.8965869"
                           y3="5.76318"
                           yFract="0.64247779"
                           z3="8.37737"
                           zFract="0.34904728"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="11.26848"
                           xFract="0.64274"
                           y3="8.04094"
                           yFract="0.89640188"
                           z3="8.3638"
                           zFract="0.34840515"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.85854"
                           xFract="0.89432029"
                           y3="8.01909"
                           yFract="0.89396605"
                           z3="8.43644"
                           zFract="0.34439294"/>
                     <atom elementType="Br"
                           id="a65"
                           x3="4.09125"
                           xFract="0.1449918"
                           y3="4.51075"
                           yFract="0.50285723"
                           z3="9.87753"
                           zFract="0.44638269"/>
                     <atom elementType="Br"
                           id="a66"
                           x3="7.22314"
                           xFract="0.30051372"
                           y3="7.16189"
                           yFract="0.79840562"
                           z3="10.12816"
                           zFract="0.44473499"/>
                     <atom elementType="Br"
                           id="a67"
                           x3="7.39877"
                           xFract="0.57139805"
                           y3="2.58955"
                           yFract="0.28868235"
                           z3="10.0038"
                           zFract="0.446001"/>
                     <atom elementType="Br"
                           id="a68"
                           x3="11.22602"
                           xFract="0.97457331"
                           y3="1.9914"
                           yFract="0.22200075"
                           z3="10.17448"
                           zFract="0.44400389"/>
                     <atom elementType="Br"
                           id="a69"
                           x3="11.08966"
                           xFract="0.71064806"
                           y3="6.50678"
                           yFract="0.72537413"
                           z3="10.35117"
                           zFract="0.44518704"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a33" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a4 a33" order="S"/>
                     <bond atomRefs2="a4 a19" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a17" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a34" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a26" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a33" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a41" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a37" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a21" order="S"/>
                     <bond atomRefs2="a8 a26" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a34" order="S"/>
                     <bond atomRefs2="a8 a38" order="S"/>
                     <bond atomRefs2="a8 a37" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a23" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a25" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a26" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a29" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a16 a67" order="S"/>
                     <bond atomRefs2="a16 a43" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a26" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a30" order="S"/>
                     <bond atomRefs2="a16 a47" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a23" order="S"/>
                     <bond atomRefs2="a19 a34" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a27" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a26" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a23" order="S"/>
                     <bond atomRefs2="a22 a28" order="S"/>
                     <bond atomRefs2="a22 a24" order="S"/>
                     <bond atomRefs2="a22 a23" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a24" order="S"/>
                     <bond atomRefs2="a23 a59" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a57" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a30 a61" order="S"/>
                     <bond atomRefs2="a30 a47" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a66" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a61" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a33 a35" order="S"/>
                     <bond atomRefs2="a33 a34" order="S"/>
                     <bond atomRefs2="a33 a37" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a35" order="S"/>
                     <bond atomRefs2="a34 a38" order="S"/>
                     <bond atomRefs2="a34 a37" order="S"/>
                     <bond atomRefs2="a34 a36" order="S"/>
                     <bond atomRefs2="a35 a36" order="S"/>
                     <bond atomRefs2="a35 a39" order="S"/>
                     <bond atomRefs2="a35 a37" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a40" order="S"/>
                     <bond atomRefs2="a36 a39" order="S"/>
                     <bond atomRefs2="a36 a38" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a44" order="S"/>
                     <bond atomRefs2="a38 a40" order="S"/>
                     <bond atomRefs2="a38 a39" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a57" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a58" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a45 a67" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a46 a68" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a57" order="S"/>
                     <bond atomRefs2="a47 a61" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a47 a67" order="S"/>
                     <bond atomRefs2="a48 a68" order="S"/>
                     <bond atomRefs2="a48 a58" order="S"/>
                     <bond atomRefs2="a48 a62" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a61 a69" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a62 a69" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                     <bond atomRefs2="a63 a69" order="S"/>
                  </bondArray>
                  <formula concise="Br5Cu64">
                     <atomArray count="5 64" elementType="Br Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4466.463999999996</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.94">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">10.364410710831562</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">10.364412581405663</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.16843459"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.16843372"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.4184342"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.4184343"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.24343294"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.24343304"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.49343352"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.49343362"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.05781"
                           xFract="0.06877133"
                           y3="0.60293"
                           yFract="0.06721448"
                           z3="5.37152"
                           zFract="0.24920568"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="3.62586"
                           xFract="0.31708232"
                           y3="0.60164"
                           yFract="0.06707067"
                           z3="5.53496"
                           zFract="0.24950383"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="2.35844"
                           xFract="0.06948337"
                           y3="2.85415"
                           yFract="0.31817989"
                           z3="5.52598"
                           zFract="0.24897564"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.94532"
                           xFract="0.31903814"
                           y3="2.86324"
                           yFract="0.31919324"
                           z3="5.67955"
                           zFract="0.24873675"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.26466"
                           xFract="0.14833059"
                           y3="1.27103"
                           yFract="0.14169409"
                           z3="7.5626"
                           zFract="0.34791603"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="4.81556"
                           xFract="0.39503542"
                           y3="1.26881"
                           yFract="0.14144661"
                           z3="7.64705"
                           zFract="0.34454087"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="3.51772"
                           xFract="0.14595974"
                           y3="3.49496"
                           yFract="0.38961722"
                           z3="7.69486"
                           zFract="0.34682211"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.08925"
                           xFract="0.39374472"
                           y3="3.5092"
                           yFract="0.39120469"
                           z3="7.91944"
                           zFract="0.349967"/>
                     <atom elementType="Cu"
                           id="a17"
                           x3="5.1870"
                           xFract="0.16843382"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a18"
                           x3="6.47529"
                           xFract="0.16843391"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a19"
                           x3="7.77327"
                           xFract="0.4184344"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a20"
                           x3="9.06156"
                           xFract="0.41843449"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="6.34936"
                           xFract="0.24343314"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="7.63765"
                           xFract="0.24343323"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="8.93563"
                           xFract="0.49343372"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="10.22391"
                           xFract="0.49343285"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="3.62066"
                           xFract="0.06657637"
                           y3="5.10368"
                           yFract="0.56895691"
                           z3="5.69271"
                           zFract="0.24943778"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.22846"
                           xFract="0.31982818"
                           y3="5.08261"
                           yFract="0.56660803"
                           z3="5.86847"
                           zFract="0.25023514"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.93944"
                           xFract="0.07108475"
                           y3="7.31813"
                           yFract="0.81582321"
                           z3="5.84828"
                           zFract="0.24926911"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.51478"
                           xFract="0.31929189"
                           y3="7.3314"
                           yFract="0.81730255"
                           z3="5.98897"
                           zFract="0.24844925"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.80156"
                           xFract="0.14224335"
                           y3="5.7967"
                           yFract="0.64621459"
                           z3="7.87929"
                           zFract="0.34796921"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="7.39876"
                           xFract="0.39525517"
                           y3="5.7615"
                           yFract="0.64229051"
                           z3="8.03081"
                           zFract="0.34767785"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.06725"
                           xFract="0.14184304"
                           y3="8.00713"
                           yFract="0.89263275"
                           z3="8.02803"
                           zFract="0.34763841"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.69012"
                           xFract="0.39449638"
                           y3="8.02307"
                           yFract="0.89440974"
                           z3="8.19541"
                           zFract="0.34793537"/>
                     <atom elementType="Cu"
                           id="a33"
                           x3="7.78295"
                           xFract="0.66843382"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a34"
                           x3="9.07124"
                           xFract="0.66843391"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a35"
                           x3="10.36922"
                           xFract="0.9184344"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a36"
                           x3="11.65751"
                           xFract="0.91843449"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a37"
                           x3="8.94531"
                           xFract="0.74343314"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a38"
                           x3="10.2336"
                           xFract="0.74343323"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a39"
                           x3="11.53158"
                           xFract="0.99343372"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a40"
                           x3="12.81986"
                           xFract="0.99343285"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a41"
                           x3="6.2546"
                           xFract="0.57165859"
                           y3="0.59317"
                           yFract="0.06612644"
                           z3="5.6939"
                           zFract="0.24942667"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="8.82585"
                           xFract="0.81798047"
                           y3="0.63327"
                           yFract="0.07059677"
                           z3="5.85535"
                           zFract="0.24955263"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="7.50764"
                           xFract="0.56705568"
                           y3="2.85726"
                           yFract="0.31852659"
                           z3="5.84382"
                           zFract="0.2490984"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.09918"
                           xFract="0.81791053"
                           y3="2.85105"
                           yFract="0.31783431"
                           z3="6.00074"
                           zFract="0.24902956"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.39359"
                           xFract="0.64527459"
                           y3="1.25017"
                           yFract="0.13936862"
                           z3="7.89013"
                           zFract="0.34859418"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="9.97468"
                           xFract="0.89479166"
                           y3="1.24986"
                           yFract="0.13933406"
                           z3="8.04538"
                           zFract="0.34846691"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="8.68559"
                           xFract="0.64350702"
                           y3="3.53102"
                           yFract="0.39363718"
                           z3="8.0294"
                           zFract="0.34762335"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.26333"
                           xFract="0.89271304"
                           y3="3.53048"
                           yFract="0.39357698"
                           z3="8.17374"
                           zFract="0.34699173"/>
                     <atom elementType="Cu"
                           id="a49"
                           x3="10.35953"
                           xFract="0.66843401"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.90692"
                           zFract="0.05000395"/>
                     <atom elementType="Cu"
                           id="a50"
                           x3="11.64782"
                           xFract="0.66843411"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.0652"
                           zFract="0.05000409"/>
                     <atom elementType="Cu"
                           id="a51"
                           x3="12.9458"
                           xFract="0.91843459"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="2.0652"
                           zFract="0.05000408"/>
                     <atom elementType="Cu"
                           id="a52"
                           x3="14.23408"
                           xFract="0.91843372"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.22348"
                           zFract="0.05000424"/>
                     <atom elementType="Cu"
                           id="a53"
                           x3="11.52189"
                           xFract="0.74343333"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.1228"
                           zFract="0.15000418"/>
                     <atom elementType="Cu"
                           id="a54"
                           x3="12.81018"
                           xFract="0.74343343"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.28107"
                           zFract="0.15000385"/>
                     <atom elementType="Cu"
                           id="a55"
                           x3="14.10815"
                           xFract="0.99343294"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.28107"
                           zFract="0.15000386"/>
                     <atom elementType="Cu"
                           id="a56"
                           x3="15.39644"
                           xFract="0.99343304"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.43935"
                           zFract="0.150004"/>
                     <atom elementType="Cu"
                           id="a57"
                           x3="8.81734"
                           xFract="0.56933694"
                           y3="5.09601"
                           yFract="0.56810186"
                           z3="6.03694"
                           zFract="0.25068581"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="11.39997"
                           xFract="0.81982862"
                           y3="5.08083"
                           yFract="0.56640959"
                           z3="6.18162"
                           zFract="0.25008055"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="10.0904"
                           xFract="0.56793036"
                           y3="7.33739"
                           yFract="0.81797031"
                           z3="6.16223"
                           zFract="0.2491764"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.67441"
                           xFract="0.81848325"
                           y3="7.32351"
                           yFract="0.81642297"
                           z3="6.30628"
                           zFract="0.24853529"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.97299"
                           xFract="0.64482214"
                           y3="5.74835"
                           yFract="0.64082455"
                           z3="8.20177"
                           zFract="0.34833254"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="12.58545"
                           xFract="0.8962765"
                           y3="5.76776"
                           yFract="0.64298837"
                           z3="8.37875"
                           zFract="0.34910637"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="11.26901"
                           xFract="0.64279179"
                           y3="8.04093"
                           yFract="0.89640077"
                           z3="8.36331"
                           zFract="0.34838054"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.85912"
                           xFract="0.89434304"
                           y3="8.01969"
                           yFract="0.89403294"
                           z3="8.43643"
                           zFract="0.3443898"/>
                     <atom elementType="Br"
                           id="a65"
                           x3="4.08892"
                           xFract="0.14448503"
                           y3="4.51582"
                           yFract="0.50342243"
                           z3="9.87958"
                           zFract="0.44647761"/>
                     <atom elementType="Br"
                           id="a66"
                           x3="7.22478"
                           xFract="0.30062838"
                           y3="7.16268"
                           yFract="0.79849369"
                           z3="10.12627"
                           zFract="0.44463983"/>
                     <atom elementType="Br"
                           id="a67"
                           x3="7.40413"
                           xFract="0.57195449"
                           y3="2.58886"
                           yFract="0.28860543"
                           z3="10.00484"
                           zFract="0.44603572"/>
                     <atom elementType="Br"
                           id="a68"
                           x3="11.22849"
                           xFract="0.97444057"
                           y3="1.99809"
                           yFract="0.22274655"
                           z3="10.17459"
                           zFract="0.44399078"/>
                     <atom elementType="Br"
                           id="a69"
                           x3="11.09386"
                           xFract="0.71064534"
                           y3="6.51414"
                           yFract="0.72619462"
                           z3="10.35303"
                           zFract="0.44525033"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a33" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a4 a33" order="S"/>
                     <bond atomRefs2="a4 a19" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a17" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a34" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a26" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a33" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a41" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a37" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a21" order="S"/>
                     <bond atomRefs2="a8 a26" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a34" order="S"/>
                     <bond atomRefs2="a8 a38" order="S"/>
                     <bond atomRefs2="a8 a37" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a23" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a25" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a26" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a29" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a16 a67" order="S"/>
                     <bond atomRefs2="a16 a43" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a26" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a30" order="S"/>
                     <bond atomRefs2="a16 a47" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a23" order="S"/>
                     <bond atomRefs2="a19 a34" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a27" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a26" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a23" order="S"/>
                     <bond atomRefs2="a22 a28" order="S"/>
                     <bond atomRefs2="a22 a24" order="S"/>
                     <bond atomRefs2="a22 a23" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a24" order="S"/>
                     <bond atomRefs2="a23 a59" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a57" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a30 a61" order="S"/>
                     <bond atomRefs2="a30 a47" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a66" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a61" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a33 a35" order="S"/>
                     <bond atomRefs2="a33 a34" order="S"/>
                     <bond atomRefs2="a33 a37" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a35" order="S"/>
                     <bond atomRefs2="a34 a38" order="S"/>
                     <bond atomRefs2="a34 a37" order="S"/>
                     <bond atomRefs2="a34 a36" order="S"/>
                     <bond atomRefs2="a35 a36" order="S"/>
                     <bond atomRefs2="a35 a39" order="S"/>
                     <bond atomRefs2="a35 a37" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a40" order="S"/>
                     <bond atomRefs2="a36 a39" order="S"/>
                     <bond atomRefs2="a36 a38" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a44" order="S"/>
                     <bond atomRefs2="a38 a40" order="S"/>
                     <bond atomRefs2="a38 a39" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a57" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a58" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a45 a67" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a46 a68" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a57" order="S"/>
                     <bond atomRefs2="a47 a61" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a47 a67" order="S"/>
                     <bond atomRefs2="a48 a68" order="S"/>
                     <bond atomRefs2="a48 a58" order="S"/>
                     <bond atomRefs2="a48 a62" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a61 a69" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a62 a69" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                     <bond atomRefs2="a63 a69" order="S"/>
                  </bondArray>
                  <formula concise="Br5Cu64">
                     <atomArray count="5 64" elementType="Br Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4466.463999999996</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.95">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">10.364410710831562</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">10.364412581405663</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.16843459"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.16843372"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.4184342"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.4184343"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.24343294"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.24343304"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.49343352"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.49343362"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.05789"
                           xFract="0.06878296"
                           y3="0.60286"
                           yFract="0.06720667"
                           z3="5.37146"
                           zFract="0.24920274"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="3.62576"
                           xFract="0.31707432"
                           y3="0.60161"
                           yFract="0.06706732"
                           z3="5.53512"
                           zFract="0.24951171"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="2.35847"
                           xFract="0.0695046"
                           y3="2.85382"
                           yFract="0.3181431"
                           z3="5.52602"
                           zFract="0.24897799"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.94541"
                           xFract="0.31906183"
                           y3="2.86297"
                           yFract="0.31916314"
                           z3="5.67942"
                           zFract="0.24873081"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.26473"
                           xFract="0.14836123"
                           y3="1.2706"
                           yFract="0.14164615"
                           z3="7.56263"
                           zFract="0.34791796"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="4.81541"
                           xFract="0.39505369"
                           y3="1.26822"
                           yFract="0.14138083"
                           z3="7.64712"
                           zFract="0.34454559"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="3.51782"
                           xFract="0.14601272"
                           y3="3.49418"
                           yFract="0.38953027"
                           z3="7.69473"
                           zFract="0.34681699"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.08909"
                           xFract="0.39375258"
                           y3="3.50878"
                           yFract="0.39115787"
                           z3="7.91927"
                           zFract="0.34996015"/>
                     <atom elementType="Cu"
                           id="a17"
                           x3="5.1870"
                           xFract="0.16843382"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a18"
                           x3="6.47529"
                           xFract="0.16843391"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a19"
                           x3="7.77327"
                           xFract="0.4184344"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a20"
                           x3="9.06156"
                           xFract="0.41843449"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="6.34936"
                           xFract="0.24343314"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="7.63765"
                           xFract="0.24343323"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="8.93563"
                           xFract="0.49343372"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="10.22391"
                           xFract="0.49343285"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="3.6206"
                           xFract="0.06658612"
                           y3="5.1034"
                           yFract="0.56892569"
                           z3="5.69285"
                           zFract="0.24944502"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.22833"
                           xFract="0.3198245"
                           y3="5.08245"
                           yFract="0.56659019"
                           z3="5.86852"
                           zFract="0.25023814"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.93942"
                           xFract="0.07109726"
                           y3="7.31787"
                           yFract="0.81579423"
                           z3="5.84838"
                           zFract="0.24927432"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.51465"
                           xFract="0.31928599"
                           y3="7.33128"
                           yFract="0.81728917"
                           z3="5.98898"
                           zFract="0.2484503"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.80169"
                           xFract="0.14227257"
                           y3="5.7964"
                           yFract="0.64618115"
                           z3="7.87938"
                           zFract="0.34797358"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="7.39861"
                           xFract="0.39525621"
                           y3="5.76122"
                           yFract="0.64225929"
                           z3="8.03068"
                           zFract="0.34767262"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.06692"
                           xFract="0.14183502"
                           y3="8.0067"
                           yFract="0.89258481"
                           z3="8.0280"
                           zFract="0.34763867"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.69016"
                           xFract="0.3945119"
                           y3="8.02286"
                           yFract="0.89438633"
                           z3="8.19552"
                           zFract="0.34794079"/>
                     <atom elementType="Cu"
                           id="a33"
                           x3="7.78295"
                           xFract="0.66843382"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a34"
                           x3="9.07124"
                           xFract="0.66843391"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a35"
                           x3="10.36922"
                           xFract="0.9184344"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a36"
                           x3="11.65751"
                           xFract="0.91843449"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a37"
                           x3="8.94531"
                           xFract="0.74343314"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a38"
                           x3="10.2336"
                           xFract="0.74343323"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a39"
                           x3="11.53158"
                           xFract="0.99343372"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a40"
                           x3="12.81986"
                           xFract="0.99343285"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a41"
                           x3="6.25471"
                           xFract="0.57168033"
                           y3="0.59297"
                           yFract="0.06610414"
                           z3="5.69389"
                           zFract="0.24942622"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="8.82578"
                           xFract="0.81798204"
                           y3="0.63312"
                           yFract="0.07058005"
                           z3="5.85536"
                           zFract="0.24955355"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="7.50762"
                           xFract="0.56707207"
                           y3="2.85693"
                           yFract="0.31848981"
                           z3="5.84376"
                           zFract="0.24909617"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.09923"
                           xFract="0.8179187"
                           y3="2.85099"
                           yFract="0.31782762"
                           z3="6.00078"
                           zFract="0.2490314"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.39378"
                           xFract="0.64531517"
                           y3="1.24977"
                           yFract="0.13932403"
                           z3="7.89013"
                           zFract="0.3485943"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="9.9745"
                           xFract="0.89479259"
                           y3="1.24953"
                           yFract="0.13929728"
                           z3="8.04534"
                           zFract="0.34846609"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="8.68562"
                           xFract="0.64353047"
                           y3="3.53065"
                           yFract="0.39359594"
                           z3="8.02918"
                           zFract="0.34761351"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.26338"
                           xFract="0.89273287"
                           y3="3.53021"
                           yFract="0.39354688"
                           z3="8.17363"
                           zFract="0.34698685"/>
                     <atom elementType="Cu"
                           id="a49"
                           x3="10.35953"
                           xFract="0.66843401"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.90692"
                           zFract="0.05000395"/>
                     <atom elementType="Cu"
                           id="a50"
                           x3="11.64782"
                           xFract="0.66843411"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.0652"
                           zFract="0.05000409"/>
                     <atom elementType="Cu"
                           id="a51"
                           x3="12.9458"
                           xFract="0.91843459"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="2.0652"
                           zFract="0.05000408"/>
                     <atom elementType="Cu"
                           id="a52"
                           x3="14.23408"
                           xFract="0.91843372"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.22348"
                           zFract="0.05000424"/>
                     <atom elementType="Cu"
                           id="a53"
                           x3="11.52189"
                           xFract="0.74343333"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.1228"
                           zFract="0.15000418"/>
                     <atom elementType="Cu"
                           id="a54"
                           x3="12.81018"
                           xFract="0.74343343"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.28107"
                           zFract="0.15000385"/>
                     <atom elementType="Cu"
                           id="a55"
                           x3="14.10815"
                           xFract="0.99343294"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.28107"
                           zFract="0.15000386"/>
                     <atom elementType="Cu"
                           id="a56"
                           x3="15.39644"
                           xFract="0.99343304"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.43935"
                           zFract="0.150004"/>
                     <atom elementType="Cu"
                           id="a57"
                           x3="8.81744"
                           xFract="0.56936771"
                           y3="5.09563"
                           yFract="0.56805949"
                           z3="6.0369"
                           zFract="0.25068427"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="11.39991"
                           xFract="0.81983004"
                           y3="5.0807"
                           yFract="0.5663951"
                           z3="6.18167"
                           zFract="0.2500833"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="10.09034"
                           xFract="0.56793511"
                           y3="7.3372"
                           yFract="0.81794913"
                           z3="6.16232"
                           zFract="0.24918113"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.67436"
                           xFract="0.81849174"
                           y3="7.32327"
                           yFract="0.81639622"
                           z3="6.30619"
                           zFract="0.24853159"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.97269"
                           xFract="0.64483146"
                           y3="5.74766"
                           yFract="0.64074763"
                           z3="8.20159"
                           zFract="0.34832607"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="12.58553"
                           xFract="0.89631867"
                           y3="5.76714"
                           yFract="0.64291925"
                           z3="8.37856"
                           zFract="0.34909822"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="11.26894"
                           xFract="0.64278502"
                           y3="8.04093"
                           yFract="0.89640077"
                           z3="8.36337"
                           zFract="0.34838357"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.85904"
                           xFract="0.89433975"
                           y3="8.01961"
                           yFract="0.89402402"
                           z3="8.43643"
                           zFract="0.34439016"/>
                     <atom elementType="Br"
                           id="a65"
                           x3="4.08923"
                           xFract="0.14455331"
                           y3="4.51513"
                           yFract="0.50334551"
                           z3="9.8793"
                           zFract="0.44646466"/>
                     <atom elementType="Br"
                           id="a66"
                           x3="7.22456"
                           xFract="0.30061323"
                           y3="7.16257"
                           yFract="0.79848142"
                           z3="10.12652"
                           zFract="0.44465243"/>
                     <atom elementType="Br"
                           id="a67"
                           x3="7.4034"
                           xFract="0.57187892"
                           y3="2.58895"
                           yFract="0.28861547"
                           z3="10.0047"
                           zFract="0.44603108"/>
                     <atom elementType="Br"
                           id="a68"
                           x3="11.22815"
                           xFract="0.97445824"
                           y3="1.99718"
                           yFract="0.2226451"
                           z3="10.17457"
                           zFract="0.44399234"/>
                     <atom elementType="Br"
                           id="a69"
                           x3="11.09329"
                           xFract="0.71064577"
                           y3="6.51314"
                           yFract="0.72608314"
                           z3="10.35278"
                           zFract="0.44524185"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a33" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a4 a33" order="S"/>
                     <bond atomRefs2="a4 a19" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a17" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a34" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a26" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a33" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a41" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a37" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a21" order="S"/>
                     <bond atomRefs2="a8 a26" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a34" order="S"/>
                     <bond atomRefs2="a8 a38" order="S"/>
                     <bond atomRefs2="a8 a37" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a23" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a25" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a26" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a29" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a16 a67" order="S"/>
                     <bond atomRefs2="a16 a43" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a26" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a30" order="S"/>
                     <bond atomRefs2="a16 a47" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a23" order="S"/>
                     <bond atomRefs2="a19 a34" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a27" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a26" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a23" order="S"/>
                     <bond atomRefs2="a22 a28" order="S"/>
                     <bond atomRefs2="a22 a24" order="S"/>
                     <bond atomRefs2="a22 a23" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a24" order="S"/>
                     <bond atomRefs2="a23 a59" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a57" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a30 a61" order="S"/>
                     <bond atomRefs2="a30 a47" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a66" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a61" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a33 a35" order="S"/>
                     <bond atomRefs2="a33 a34" order="S"/>
                     <bond atomRefs2="a33 a37" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a35" order="S"/>
                     <bond atomRefs2="a34 a38" order="S"/>
                     <bond atomRefs2="a34 a37" order="S"/>
                     <bond atomRefs2="a34 a36" order="S"/>
                     <bond atomRefs2="a35 a36" order="S"/>
                     <bond atomRefs2="a35 a39" order="S"/>
                     <bond atomRefs2="a35 a37" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a40" order="S"/>
                     <bond atomRefs2="a36 a39" order="S"/>
                     <bond atomRefs2="a36 a38" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a44" order="S"/>
                     <bond atomRefs2="a38 a40" order="S"/>
                     <bond atomRefs2="a38 a39" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a57" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a58" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a45 a67" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a46 a68" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a57" order="S"/>
                     <bond atomRefs2="a47 a61" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a47 a67" order="S"/>
                     <bond atomRefs2="a48 a68" order="S"/>
                     <bond atomRefs2="a48 a58" order="S"/>
                     <bond atomRefs2="a48 a62" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a61 a69" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a62 a69" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                     <bond atomRefs2="a63 a69" order="S"/>
                  </bondArray>
                  <formula concise="Br5Cu64">
                     <atomArray count="5 64" elementType="Br Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4466.463999999996</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.96">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">10.364410710831562</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">10.364412581405663</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.16843459"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.16843372"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.4184342"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.4184343"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.24343294"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.24343304"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.49343352"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.49343362"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.05827"
                           xFract="0.06882024"
                           y3="0.60285"
                           yFract="0.06720556"
                           z3="5.37148"
                           zFract="0.24920261"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="3.62606"
                           xFract="0.31709666"
                           y3="0.60173"
                           yFract="0.0670807"
                           z3="5.53409"
                           zFract="0.24946208"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="2.35824"
                           xFract="0.06947737"
                           y3="2.85391"
                           yFract="0.31815314"
                           z3="5.52669"
                           zFract="0.2490101"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.94497"
                           xFract="0.31892545"
                           y3="2.86466"
                           yFract="0.31935154"
                           z3="5.67973"
                           zFract="0.24874387"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.26527"
                           xFract="0.1483629"
                           y3="1.27151"
                           yFract="0.1417476"
                           z3="7.56175"
                           zFract="0.34787339"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="4.81615"
                           xFract="0.39509634"
                           y3="1.26874"
                           yFract="0.1414388"
                           z3="7.64592"
                           zFract="0.344486"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="3.51759"
                           xFract="0.14588498"
                           y3="3.49608"
                           yFract="0.38974208"
                           z3="7.69706"
                           zFract="0.34692434"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.08928"
                           xFract="0.39375706"
                           y3="3.50903"
                           yFract="0.39118574"
                           z3="7.92019"
                           zFract="0.35000256"/>
                     <atom elementType="Cu"
                           id="a17"
                           x3="5.1870"
                           xFract="0.16843382"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a18"
                           x3="6.47529"
                           xFract="0.16843391"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a19"
                           x3="7.77327"
                           xFract="0.4184344"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a20"
                           x3="9.06156"
                           xFract="0.41843449"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="6.34936"
                           xFract="0.24343314"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="7.63765"
                           xFract="0.24343323"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="8.93563"
                           xFract="0.49343372"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="10.22391"
                           xFract="0.49343285"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="3.62079"
                           xFract="0.06656117"
                           y3="5.10418"
                           yFract="0.56901265"
                           z3="5.69296"
                           zFract="0.24944836"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.22769"
                           xFract="0.319686"
                           y3="5.08383"
                           yFract="0.56674403"
                           z3="5.86875"
                           zFract="0.25024853"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.9386"
                           xFract="0.07099411"
                           y3="7.3183"
                           yFract="0.81584216"
                           z3="5.84818"
                           zFract="0.24926653"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.51493"
                           xFract="0.31922753"
                           y3="7.33282"
                           yFract="0.81746085"
                           z3="5.99013"
                           zFract="0.24850114"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.80068"
                           xFract="0.14220715"
                           y3="5.79582"
                           yFract="0.64611649"
                           z3="7.88011"
                           zFract="0.34801188"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="7.40056"
                           xFract="0.39545859"
                           y3="5.76097"
                           yFract="0.64223142"
                           z3="8.03013"
                           zFract="0.34764148"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.06795"
                           xFract="0.1418524"
                           y3="8.00818"
                           yFract="0.8927498"
                           z3="8.02723"
                           zFract="0.34759692"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.68958"
                           xFract="0.39435033"
                           y3="8.02476"
                           yFract="0.89459814"
                           z3="8.19473"
                           zFract="0.34790204"/>
                     <atom elementType="Cu"
                           id="a33"
                           x3="7.78295"
                           xFract="0.66843382"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a34"
                           x3="9.07124"
                           xFract="0.66843391"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a35"
                           x3="10.36922"
                           xFract="0.9184344"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a36"
                           x3="11.65751"
                           xFract="0.91843449"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a37"
                           x3="8.94531"
                           xFract="0.74343314"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a38"
                           x3="10.2336"
                           xFract="0.74343323"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a39"
                           x3="11.53158"
                           xFract="0.99343372"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a40"
                           x3="12.81986"
                           xFract="0.99343285"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a41"
                           x3="6.25423"
                           xFract="0.57161283"
                           y3="0.59335"
                           yFract="0.0661465"
                           z3="5.69354"
                           zFract="0.24941046"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="8.82609"
                           xFract="0.81799923"
                           y3="0.63335"
                           yFract="0.07060569"
                           z3="5.85588"
                           zFract="0.24957679"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="7.5074"
                           xFract="0.5670347"
                           y3="2.85722"
                           yFract="0.31852214"
                           z3="5.84322"
                           zFract="0.24907086"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.09886"
                           xFract="0.81783184"
                           y3="2.85191"
                           yFract="0.31793018"
                           z3="6.00065"
                           zFract="0.2490248"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.39408"
                           xFract="0.64529863"
                           y3="1.25059"
                           yFract="0.13941544"
                           z3="7.88964"
                           zFract="0.34856896"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="9.97337"
                           xFract="0.89462171"
                           y3="1.25064"
                           yFract="0.13942102"
                           z3="8.04539"
                           zFract="0.34846986"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="8.68515"
                           xFract="0.64343117"
                           y3="3.53162"
                           yFract="0.39370407"
                           z3="8.02975"
                           zFract="0.34764012"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.26324"
                           xFract="0.89259828"
                           y3="3.53239"
                           yFract="0.39378991"
                           z3="8.17257"
                           zFract="0.34693363"/>
                     <atom elementType="Cu"
                           id="a49"
                           x3="10.35953"
                           xFract="0.66843401"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.90692"
                           zFract="0.05000395"/>
                     <atom elementType="Cu"
                           id="a50"
                           x3="11.64782"
                           xFract="0.66843411"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.0652"
                           zFract="0.05000409"/>
                     <atom elementType="Cu"
                           id="a51"
                           x3="12.9458"
                           xFract="0.91843459"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="2.0652"
                           zFract="0.05000408"/>
                     <atom elementType="Cu"
                           id="a52"
                           x3="14.23408"
                           xFract="0.91843372"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.22348"
                           zFract="0.05000424"/>
                     <atom elementType="Cu"
                           id="a53"
                           x3="11.52189"
                           xFract="0.74343333"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.1228"
                           zFract="0.15000418"/>
                     <atom elementType="Cu"
                           id="a54"
                           x3="12.81018"
                           xFract="0.74343343"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.28107"
                           zFract="0.15000385"/>
                     <atom elementType="Cu"
                           id="a55"
                           x3="14.10815"
                           xFract="0.99343294"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.28107"
                           zFract="0.15000386"/>
                     <atom elementType="Cu"
                           id="a56"
                           x3="15.39644"
                           xFract="0.99343304"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.43935"
                           zFract="0.150004"/>
                     <atom elementType="Cu"
                           id="a57"
                           x3="8.8175"
                           xFract="0.56933797"
                           y3="5.09627"
                           yFract="0.56813084"
                           z3="6.03725"
                           zFract="0.25069953"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="11.39936"
                           xFract="0.81974633"
                           y3="5.08125"
                           yFract="0.56645642"
                           z3="6.18168"
                           zFract="0.25008444"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="10.09026"
                           xFract="0.56790961"
                           y3="7.33752"
                           yFract="0.8179848"
                           z3="6.16096"
                           zFract="0.24911671"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.67529"
                           xFract="0.81854943"
                           y3="7.32385"
                           yFract="0.81646088"
                           z3="6.30619"
                           zFract="0.24852794"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.97352"
                           xFract="0.64479452"
                           y3="5.74977"
                           yFract="0.64098285"
                           z3="8.20127"
                           zFract="0.34830506"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="12.58559"
                           xFract="0.89624061"
                           y3="5.76865"
                           yFract="0.64308759"
                           z3="8.37945"
                           zFract="0.34913748"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="11.2692"
                           xFract="0.64277461"
                           y3="8.04157"
                           yFract="0.89647211"
                           z3="8.36322"
                           zFract="0.34837468"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.85877"
                           xFract="0.89427033"
                           y3="8.02039"
                           yFract="0.89411097"
                           z3="8.43668"
                           zFract="0.34440142"/>
                     <atom elementType="Br"
                           id="a65"
                           x3="4.08898"
                           xFract="0.14438476"
                           y3="4.51773"
                           yFract="0.50363535"
                           z3="9.88103"
                           zFract="0.44654261"/>
                     <atom elementType="Br"
                           id="a66"
                           x3="7.22485"
                           xFract="0.30060516"
                           y3="7.16322"
                           yFract="0.79855388"
                           z3="10.12787"
                           zFract="0.44471416"/>
                     <atom elementType="Br"
                           id="a67"
                           x3="7.4030"
                           xFract="0.57169588"
                           y3="2.59155"
                           yFract="0.28890531"
                           z3="10.00262"
                           zFract="0.44592982"/>
                     <atom elementType="Br"
                           id="a68"
                           x3="11.2294"
                           xFract="0.97432141"
                           y3="2.00182"
                           yFract="0.22316237"
                           z3="10.17554"
                           zFract="0.44402671"/>
                     <atom elementType="Br"
                           id="a69"
                           x3="11.09631"
                           xFract="0.71077666"
                           y3="6.51604"
                           yFract="0.72640643"
                           z3="10.35415"
                           zFract="0.44529289"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a33" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a4 a33" order="S"/>
                     <bond atomRefs2="a4 a19" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a17" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a34" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a26" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a33" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a41" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a37" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a21" order="S"/>
                     <bond atomRefs2="a8 a26" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a34" order="S"/>
                     <bond atomRefs2="a8 a38" order="S"/>
                     <bond atomRefs2="a8 a37" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a23" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a25" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a26" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a29" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a16 a67" order="S"/>
                     <bond atomRefs2="a16 a43" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a26" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a30" order="S"/>
                     <bond atomRefs2="a16 a47" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a23" order="S"/>
                     <bond atomRefs2="a19 a34" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a27" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a26" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a23" order="S"/>
                     <bond atomRefs2="a22 a28" order="S"/>
                     <bond atomRefs2="a22 a24" order="S"/>
                     <bond atomRefs2="a22 a23" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a24" order="S"/>
                     <bond atomRefs2="a23 a59" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a57" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a30 a61" order="S"/>
                     <bond atomRefs2="a30 a47" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a66" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a61" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a33 a35" order="S"/>
                     <bond atomRefs2="a33 a34" order="S"/>
                     <bond atomRefs2="a33 a37" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a35" order="S"/>
                     <bond atomRefs2="a34 a38" order="S"/>
                     <bond atomRefs2="a34 a37" order="S"/>
                     <bond atomRefs2="a34 a36" order="S"/>
                     <bond atomRefs2="a35 a36" order="S"/>
                     <bond atomRefs2="a35 a39" order="S"/>
                     <bond atomRefs2="a35 a37" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a40" order="S"/>
                     <bond atomRefs2="a36 a39" order="S"/>
                     <bond atomRefs2="a36 a38" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a44" order="S"/>
                     <bond atomRefs2="a38 a40" order="S"/>
                     <bond atomRefs2="a38 a39" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a57" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a58" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a45 a67" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a46 a68" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a57" order="S"/>
                     <bond atomRefs2="a47 a61" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a47 a67" order="S"/>
                     <bond atomRefs2="a48 a68" order="S"/>
                     <bond atomRefs2="a48 a58" order="S"/>
                     <bond atomRefs2="a48 a62" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a61 a69" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a62 a69" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                     <bond atomRefs2="a63 a69" order="S"/>
                  </bondArray>
                  <formula concise="Br5Cu64">
                     <atomArray count="5 64" elementType="Br Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4466.463999999996</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.97">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">10.364410710831562</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">10.364412581405663</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.16843459"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.16843372"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.4184342"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.4184343"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.24343294"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.24343304"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.49343352"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.49343362"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.05836"
                           xFract="0.06882894"
                           y3="0.60285"
                           yFract="0.06720556"
                           z3="5.37148"
                           zFract="0.24920235"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="3.62612"
                           xFract="0.31710135"
                           y3="0.60175"
                           yFract="0.06708293"
                           z3="5.53386"
                           zFract="0.24945103"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="2.35819"
                           xFract="0.06947087"
                           y3="2.85394"
                           yFract="0.31815648"
                           z3="5.52683"
                           zFract="0.24901679"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.94487"
                           xFract="0.3188958"
                           y3="2.86502"
                           yFract="0.31939168"
                           z3="5.6798"
                           zFract="0.24874686"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.26539"
                           xFract="0.14836395"
                           y3="1.2717"
                           yFract="0.14176878"
                           z3="7.56156"
                           zFract="0.34786377"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="4.81631"
                           xFract="0.39510515"
                           y3="1.26886"
                           yFract="0.14145218"
                           z3="7.64565"
                           zFract="0.34447261"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="3.51754"
                           xFract="0.14585682"
                           y3="3.4965"
                           yFract="0.3897889"
                           z3="7.69757"
                           zFract="0.34694783"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.08932"
                           xFract="0.3937576"
                           y3="3.50909"
                           yFract="0.39119243"
                           z3="7.9204"
                           zFract="0.35001224"/>
                     <atom elementType="Cu"
                           id="a17"
                           x3="5.1870"
                           xFract="0.16843382"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a18"
                           x3="6.47529"
                           xFract="0.16843391"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a19"
                           x3="7.77327"
                           xFract="0.4184344"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a20"
                           x3="9.06156"
                           xFract="0.41843449"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="6.34936"
                           xFract="0.24343314"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="7.63765"
                           xFract="0.24343323"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="8.93563"
                           xFract="0.49343372"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="10.22391"
                           xFract="0.49343285"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="3.62083"
                           xFract="0.0665556"
                           y3="5.10435"
                           yFract="0.5690316"
                           z3="5.69299"
                           zFract="0.24944937"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.22755"
                           xFract="0.31965581"
                           y3="5.08413"
                           yFract="0.56677748"
                           z3="5.8688"
                           zFract="0.25025079"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.93842"
                           xFract="0.07097171"
                           y3="7.31839"
                           yFract="0.8158522"
                           z3="5.84813"
                           zFract="0.24926455"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.51499"
                           xFract="0.31921445"
                           y3="7.33316"
                           yFract="0.81749875"
                           z3="5.99038"
                           zFract="0.24851218"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.80046"
                           xFract="0.14219255"
                           y3="5.7957"
                           yFract="0.64610311"
                           z3="7.88027"
                           zFract="0.34802026"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="7.40099"
                           xFract="0.39550294"
                           y3="5.76092"
                           yFract="0.64222585"
                           z3="8.03001"
                           zFract="0.34763467"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.06818"
                           xFract="0.14185686"
                           y3="8.0085"
                           yFract="0.89278548"
                           z3="8.02706"
                           zFract="0.34758771"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.68946"
                           xFract="0.39431541"
                           y3="8.02518"
                           yFract="0.89464496"
                           z3="8.19456"
                           zFract="0.34789367"/>
                     <atom elementType="Cu"
                           id="a33"
                           x3="7.78295"
                           xFract="0.66843382"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a34"
                           x3="9.07124"
                           xFract="0.66843391"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a35"
                           x3="10.36922"
                           xFract="0.9184344"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a36"
                           x3="11.65751"
                           xFract="0.91843449"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a37"
                           x3="8.94531"
                           xFract="0.74343314"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a38"
                           x3="10.2336"
                           xFract="0.74343323"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a39"
                           x3="11.53158"
                           xFract="0.99343372"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a40"
                           x3="12.81986"
                           xFract="0.99343285"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a41"
                           x3="6.25413"
                           xFract="0.57159872"
                           y3="0.59343"
                           yFract="0.06615542"
                           z3="5.69346"
                           zFract="0.24940685"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="8.82616"
                           xFract="0.81800322"
                           y3="0.6334"
                           yFract="0.07061127"
                           z3="5.85599"
                           zFract="0.24958169"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="7.50736"
                           xFract="0.56702695"
                           y3="2.85729"
                           yFract="0.31852994"
                           z3="5.8431"
                           zFract="0.24906521"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.09877"
                           xFract="0.81781148"
                           y3="2.85212"
                           yFract="0.31795359"
                           z3="6.00063"
                           zFract="0.24902377"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.39415"
                           xFract="0.6452954"
                           y3="1.25077"
                           yFract="0.13943551"
                           z3="7.88953"
                           zFract="0.34856328"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="9.97312"
                           xFract="0.89458367"
                           y3="1.25089"
                           yFract="0.13944889"
                           z3="8.0454"
                           zFract="0.34847063"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="8.68505"
                           xFract="0.64340929"
                           y3="3.53184"
                           yFract="0.3937286"
                           z3="8.02988"
                           zFract="0.34764617"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.2632"
                           xFract="0.89256776"
                           y3="3.53287"
                           yFract="0.39384342"
                           z3="8.17234"
                           zFract="0.3469221"/>
                     <atom elementType="Cu"
                           id="a49"
                           x3="10.35953"
                           xFract="0.66843401"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.90692"
                           zFract="0.05000395"/>
                     <atom elementType="Cu"
                           id="a50"
                           x3="11.64782"
                           xFract="0.66843411"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.0652"
                           zFract="0.05000409"/>
                     <atom elementType="Cu"
                           id="a51"
                           x3="12.9458"
                           xFract="0.91843459"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="2.0652"
                           zFract="0.05000408"/>
                     <atom elementType="Cu"
                           id="a52"
                           x3="14.23408"
                           xFract="0.91843372"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.22348"
                           zFract="0.05000424"/>
                     <atom elementType="Cu"
                           id="a53"
                           x3="11.52189"
                           xFract="0.74343333"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.1228"
                           zFract="0.15000418"/>
                     <atom elementType="Cu"
                           id="a54"
                           x3="12.81018"
                           xFract="0.74343343"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.28107"
                           zFract="0.15000385"/>
                     <atom elementType="Cu"
                           id="a55"
                           x3="14.10815"
                           xFract="0.99343294"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.28107"
                           zFract="0.15000386"/>
                     <atom elementType="Cu"
                           id="a56"
                           x3="15.39644"
                           xFract="0.99343304"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.43935"
                           zFract="0.150004"/>
                     <atom elementType="Cu"
                           id="a57"
                           x3="8.81752"
                           xFract="0.56933213"
                           y3="5.09641"
                           yFract="0.56814645"
                           z3="6.03733"
                           zFract="0.25070301"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="11.39924"
                           xFract="0.81972751"
                           y3="5.08138"
                           yFract="0.56647091"
                           z3="6.18168"
                           zFract="0.25008457"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="10.09025"
                           xFract="0.56790531"
                           y3="7.33758"
                           yFract="0.81799149"
                           z3="6.16066"
                           zFract="0.24910249"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.6755"
                           xFract="0.81856307"
                           y3="7.32397"
                           yFract="0.81647425"
                           z3="6.30619"
                           zFract="0.24852713"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.97371"
                           xFract="0.64478678"
                           y3="5.75024"
                           yFract="0.64103525"
                           z3="8.20121"
                           zFract="0.3483009"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="12.58561"
                           xFract="0.89622367"
                           y3="5.76899"
                           yFract="0.64312549"
                           z3="8.37964"
                           zFract="0.34914582"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="11.26925"
                           xFract="0.64277167"
                           y3="8.04171"
                           yFract="0.89648772"
                           z3="8.36319"
                           zFract="0.34837288"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.85871"
                           xFract="0.89425509"
                           y3="8.02056"
                           yFract="0.89412992"
                           z3="8.43673"
                           zFract="0.34440367"/>
                     <atom elementType="Br"
                           id="a65"
                           x3="4.08892"
                           xFract="0.14434731"
                           y3="4.5183"
                           yFract="0.5036989"
                           z3="9.88142"
                           zFract="0.44656022"/>
                     <atom elementType="Br"
                           id="a66"
                           x3="7.22491"
                           xFract="0.30060263"
                           y3="7.16337"
                           yFract="0.79857061"
                           z3="10.12817"
                           zFract="0.44472788"/>
                     <atom elementType="Br"
                           id="a67"
                           x3="7.40291"
                           xFract="0.57165497"
                           y3="2.59213"
                           yFract="0.28896997"
                           z3="10.00217"
                           zFract="0.44590789"/>
                     <atom elementType="Br"
                           id="a68"
                           x3="11.22968"
                           xFract="0.97429183"
                           y3="2.00284"
                           yFract="0.22327608"
                           z3="10.17575"
                           zFract="0.4440341"/>
                     <atom elementType="Br"
                           id="a69"
                           x3="11.09697"
                           xFract="0.71080547"
                           y3="6.51667"
                           yFract="0.72647666"
                           z3="10.35445"
                           zFract="0.44530408"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a33" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a4 a33" order="S"/>
                     <bond atomRefs2="a4 a19" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a17" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a34" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a26" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a33" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a41" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a37" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a21" order="S"/>
                     <bond atomRefs2="a8 a26" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a34" order="S"/>
                     <bond atomRefs2="a8 a38" order="S"/>
                     <bond atomRefs2="a8 a37" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a23" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a25" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a26" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a29" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a16 a67" order="S"/>
                     <bond atomRefs2="a16 a43" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a26" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a30" order="S"/>
                     <bond atomRefs2="a16 a47" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a23" order="S"/>
                     <bond atomRefs2="a19 a34" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a27" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a26" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a23" order="S"/>
                     <bond atomRefs2="a22 a28" order="S"/>
                     <bond atomRefs2="a22 a24" order="S"/>
                     <bond atomRefs2="a22 a23" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a24" order="S"/>
                     <bond atomRefs2="a23 a59" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a57" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a30 a61" order="S"/>
                     <bond atomRefs2="a30 a47" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a66" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a61" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a33 a35" order="S"/>
                     <bond atomRefs2="a33 a34" order="S"/>
                     <bond atomRefs2="a33 a37" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a35" order="S"/>
                     <bond atomRefs2="a34 a38" order="S"/>
                     <bond atomRefs2="a34 a37" order="S"/>
                     <bond atomRefs2="a34 a36" order="S"/>
                     <bond atomRefs2="a35 a36" order="S"/>
                     <bond atomRefs2="a35 a39" order="S"/>
                     <bond atomRefs2="a35 a37" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a40" order="S"/>
                     <bond atomRefs2="a36 a39" order="S"/>
                     <bond atomRefs2="a36 a38" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a44" order="S"/>
                     <bond atomRefs2="a38 a40" order="S"/>
                     <bond atomRefs2="a38 a39" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a57" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a58" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a45 a67" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a46 a68" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a57" order="S"/>
                     <bond atomRefs2="a47 a61" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a47 a67" order="S"/>
                     <bond atomRefs2="a48 a68" order="S"/>
                     <bond atomRefs2="a48 a58" order="S"/>
                     <bond atomRefs2="a48 a62" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a61 a69" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a62 a69" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                     <bond atomRefs2="a63 a69" order="S"/>
                  </bondArray>
                  <formula concise="Br5Cu64">
                     <atomArray count="5 64" elementType="Br Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4466.463999999996</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.98">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">10.364410710831562</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">10.364412581405663</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.16843459"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.16843372"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.4184342"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.4184343"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.24343294"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.24343304"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.49343352"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.49343362"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.05831"
                           xFract="0.06882411"
                           y3="0.60285"
                           yFract="0.06720556"
                           z3="5.37148"
                           zFract="0.24920249"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="3.62609"
                           xFract="0.317099"
                           y3="0.60174"
                           yFract="0.06708182"
                           z3="5.53399"
                           zFract="0.24945726"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="2.35822"
                           xFract="0.06947488"
                           y3="2.85392"
                           yFract="0.31815425"
                           z3="5.52675"
                           zFract="0.24901297"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.94492"
                           xFract="0.31891173"
                           y3="2.86482"
                           yFract="0.31936938"
                           z3="5.67976"
                           zFract="0.24874517"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.26532"
                           xFract="0.14836329"
                           y3="1.27159"
                           yFract="0.14175652"
                           z3="7.56166"
                           zFract="0.34786887"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="4.81622"
                           xFract="0.39510033"
                           y3="1.26879"
                           yFract="0.14144438"
                           z3="7.6458"
                           zFract="0.34448006"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="3.51757"
                           xFract="0.14587249"
                           y3="3.49627"
                           yFract="0.38976326"
                           z3="7.69729"
                           zFract="0.34693492"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.0893"
                           xFract="0.39375733"
                           y3="3.50906"
                           yFract="0.39118909"
                           z3="7.92028"
                           zFract="0.35000669"/>
                     <atom elementType="Cu"
                           id="a17"
                           x3="5.1870"
                           xFract="0.16843382"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a18"
                           x3="6.47529"
                           xFract="0.16843391"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a19"
                           x3="7.77327"
                           xFract="0.4184344"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a20"
                           x3="9.06156"
                           xFract="0.41843449"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="6.34936"
                           xFract="0.24343314"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="7.63765"
                           xFract="0.24343323"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="8.93563"
                           xFract="0.49343372"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="10.22391"
                           xFract="0.49343285"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="3.62081"
                           xFract="0.06655866"
                           y3="5.10426"
                           yFract="0.56902156"
                           z3="5.69297"
                           zFract="0.24944864"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.22762"
                           xFract="0.31967146"
                           y3="5.08397"
                           yFract="0.56675964"
                           z3="5.86877"
                           zFract="0.25024944"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.93852"
                           xFract="0.07098416"
                           y3="7.31834"
                           yFract="0.81584662"
                           z3="5.84816"
                           zFract="0.24926576"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.51496"
                           xFract="0.31922211"
                           y3="7.33297"
                           yFract="0.81747757"
                           z3="5.99024"
                           zFract="0.24850599"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.80058"
                           xFract="0.14220026"
                           y3="5.79577"
                           yFract="0.64611092"
                           z3="7.88018"
                           zFract="0.34801555"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="7.40075"
                           xFract="0.39547807"
                           y3="5.76095"
                           yFract="0.64222919"
                           z3="8.03008"
                           zFract="0.34763861"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.06805"
                           xFract="0.14185429"
                           y3="8.00832"
                           yFract="0.89276541"
                           z3="8.02715"
                           zFract="0.34759263"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.68953"
                           xFract="0.39433494"
                           y3="8.02495"
                           yFract="0.89461932"
                           z3="8.19465"
                           zFract="0.3478981"/>
                     <atom elementType="Cu"
                           id="a33"
                           x3="7.78295"
                           xFract="0.66843382"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a34"
                           x3="9.07124"
                           xFract="0.66843391"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a35"
                           x3="10.36922"
                           xFract="0.9184344"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a36"
                           x3="11.65751"
                           xFract="0.91843449"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a37"
                           x3="8.94531"
                           xFract="0.74343314"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a38"
                           x3="10.2336"
                           xFract="0.74343323"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a39"
                           x3="11.53158"
                           xFract="0.99343372"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a40"
                           x3="12.81986"
                           xFract="0.99343285"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a41"
                           x3="6.25419"
                           xFract="0.5716073"
                           y3="0.59338"
                           yFract="0.06614985"
                           z3="5.6935"
                           zFract="0.24940864"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="8.82612"
                           xFract="0.81800102"
                           y3="0.63337"
                           yFract="0.07060792"
                           z3="5.85593"
                           zFract="0.24957903"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="7.50738"
                           xFract="0.5670311"
                           y3="2.85725"
                           yFract="0.31852548"
                           z3="5.84316"
                           zFract="0.24906804"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.09882"
                           xFract="0.81782298"
                           y3="2.8520"
                           yFract="0.31794021"
                           z3="6.00064"
                           zFract="0.2490243"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.39411"
                           xFract="0.64529709"
                           y3="1.25067"
                           yFract="0.13942436"
                           z3="7.88959"
                           zFract="0.34856639"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="9.97326"
                           xFract="0.89460497"
                           y3="1.25075"
                           yFract="0.13943328"
                           z3="8.04539"
                           zFract="0.34846999"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="8.6851"
                           xFract="0.64342079"
                           y3="3.53172"
                           yFract="0.39371522"
                           z3="8.02981"
                           zFract="0.34764293"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.26322"
                           xFract="0.89258468"
                           y3="3.5326"
                           yFract="0.39381332"
                           z3="8.17247"
                           zFract="0.34692863"/>
                     <atom elementType="Cu"
                           id="a49"
                           x3="10.35953"
                           xFract="0.66843401"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.90692"
                           zFract="0.05000395"/>
                     <atom elementType="Cu"
                           id="a50"
                           x3="11.64782"
                           xFract="0.66843411"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.0652"
                           zFract="0.05000409"/>
                     <atom elementType="Cu"
                           id="a51"
                           x3="12.9458"
                           xFract="0.91843459"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="2.0652"
                           zFract="0.05000408"/>
                     <atom elementType="Cu"
                           id="a52"
                           x3="14.23408"
                           xFract="0.91843372"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.22348"
                           zFract="0.05000424"/>
                     <atom elementType="Cu"
                           id="a53"
                           x3="11.52189"
                           xFract="0.74343333"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.1228"
                           zFract="0.15000418"/>
                     <atom elementType="Cu"
                           id="a54"
                           x3="12.81018"
                           xFract="0.74343343"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.28107"
                           zFract="0.15000385"/>
                     <atom elementType="Cu"
                           id="a55"
                           x3="14.10815"
                           xFract="0.99343294"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.28107"
                           zFract="0.15000386"/>
                     <atom elementType="Cu"
                           id="a56"
                           x3="15.39644"
                           xFract="0.99343304"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.43935"
                           zFract="0.150004"/>
                     <atom elementType="Cu"
                           id="a57"
                           x3="8.81751"
                           xFract="0.5693356"
                           y3="5.09633"
                           yFract="0.56813753"
                           z3="6.03728"
                           zFract="0.25070082"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="11.39931"
                           xFract="0.81973817"
                           y3="5.08131"
                           yFract="0.5664631"
                           z3="6.18168"
                           zFract="0.25008449"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="10.09026"
                           xFract="0.56790794"
                           y3="7.33755"
                           yFract="0.81798815"
                           z3="6.16083"
                           zFract="0.24911053"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.67538"
                           xFract="0.81855536"
                           y3="7.3239"
                           yFract="0.81646645"
                           z3="6.30619"
                           zFract="0.24852759"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.9736"
                           xFract="0.64479059"
                           y3="5.74998"
                           yFract="0.64100626"
                           z3="8.20124"
                           zFract="0.34830306"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="12.5856"
                           xFract="0.89623325"
                           y3="5.7688"
                           yFract="0.64310431"
                           z3="8.37953"
                           zFract="0.34914098"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="11.26922"
                           xFract="0.64277321"
                           y3="8.04163"
                           yFract="0.8964788"
                           z3="8.36321"
                           zFract="0.34837405"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.85874"
                           xFract="0.89426355"
                           y3="8.02046"
                           yFract="0.89411877"
                           z3="8.4367"
                           zFract="0.34440234"/>
                     <atom elementType="Br"
                           id="a65"
                           x3="4.08895"
                           xFract="0.14436742"
                           y3="4.51799"
                           yFract="0.50366434"
                           z3="9.8812"
                           zFract="0.44655028"/>
                     <atom elementType="Br"
                           id="a66"
                           x3="7.22487"
                           xFract="0.30060321"
                           y3="7.16329"
                           yFract="0.79856169"
                           z3="10.12801"
                           zFract="0.44472059"/>
                     <atom elementType="Br"
                           id="a67"
                           x3="7.40296"
                           xFract="0.57167757"
                           y3="2.59181"
                           yFract="0.2889343"
                           z3="10.00242"
                           zFract="0.44592007"/>
                     <atom elementType="Br"
                           id="a68"
                           x3="11.22952"
                           xFract="0.97430802"
                           y3="2.00227"
                           yFract="0.22321253"
                           z3="10.17563"
                           zFract="0.44402986"/>
                     <atom elementType="Br"
                           id="a69"
                           x3="11.0966"
                           xFract="0.71078914"
                           y3="6.51632"
                           yFract="0.72643764"
                           z3="10.35429"
                           zFract="0.44529819"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a33" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a4 a33" order="S"/>
                     <bond atomRefs2="a4 a19" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a17" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a34" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a26" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a33" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a41" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a37" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a21" order="S"/>
                     <bond atomRefs2="a8 a26" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a34" order="S"/>
                     <bond atomRefs2="a8 a38" order="S"/>
                     <bond atomRefs2="a8 a37" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a23" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a25" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a26" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a29" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a16 a67" order="S"/>
                     <bond atomRefs2="a16 a43" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a26" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a30" order="S"/>
                     <bond atomRefs2="a16 a47" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a23" order="S"/>
                     <bond atomRefs2="a19 a34" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a27" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a26" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a23" order="S"/>
                     <bond atomRefs2="a22 a28" order="S"/>
                     <bond atomRefs2="a22 a24" order="S"/>
                     <bond atomRefs2="a22 a23" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a24" order="S"/>
                     <bond atomRefs2="a23 a59" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a57" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a30 a61" order="S"/>
                     <bond atomRefs2="a30 a47" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a66" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a61" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a33 a35" order="S"/>
                     <bond atomRefs2="a33 a34" order="S"/>
                     <bond atomRefs2="a33 a37" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a35" order="S"/>
                     <bond atomRefs2="a34 a38" order="S"/>
                     <bond atomRefs2="a34 a37" order="S"/>
                     <bond atomRefs2="a34 a36" order="S"/>
                     <bond atomRefs2="a35 a36" order="S"/>
                     <bond atomRefs2="a35 a39" order="S"/>
                     <bond atomRefs2="a35 a37" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a40" order="S"/>
                     <bond atomRefs2="a36 a39" order="S"/>
                     <bond atomRefs2="a36 a38" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a44" order="S"/>
                     <bond atomRefs2="a38 a40" order="S"/>
                     <bond atomRefs2="a38 a39" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a57" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a58" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a45 a67" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a46 a68" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a57" order="S"/>
                     <bond atomRefs2="a47 a61" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a47 a67" order="S"/>
                     <bond atomRefs2="a48 a68" order="S"/>
                     <bond atomRefs2="a48 a58" order="S"/>
                     <bond atomRefs2="a48 a62" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a61 a69" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a62 a69" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                     <bond atomRefs2="a63 a69" order="S"/>
                  </bondArray>
                  <formula concise="Br5Cu64">
                     <atomArray count="5 64" elementType="Br Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4466.463999999996</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.99">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">10.364410710831562</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">10.364412581405663</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.16843459"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.16843372"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.4184342"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.4184343"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.24343294"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.24343304"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.49343352"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.49343362"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.05836"
                           xFract="0.06878285"
                           y3="0.60368"
                           yFract="0.06729809"
                           z3="5.37129"
                           zFract="0.249192"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="3.62649"
                           xFract="0.31707547"
                           y3="0.60286"
                           yFract="0.06720667"
                           z3="5.53296"
                           zFract="0.24940567"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="2.35845"
                           xFract="0.06948878"
                           y3="2.85407"
                           yFract="0.31817097"
                           z3="5.52762"
                           zFract="0.24905307"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.94438"
                           xFract="0.31875847"
                           y3="2.86664"
                           yFract="0.31957227"
                           z3="5.68036"
                           zFract="0.24877197"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.26536"
                           xFract="0.14828386"
                           y3="1.27309"
                           yFract="0.14192374"
                           z3="7.56155"
                           zFract="0.34786106"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="4.8165"
                           xFract="0.39511407"
                           y3="1.26903"
                           yFract="0.14147113"
                           z3="7.6446"
                           zFract="0.34442227"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="3.51745"
                           xFract="0.14586034"
                           y3="3.49628"
                           yFract="0.38976438"
                           z3="7.69981"
                           zFract="0.34705407"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.08854"
                           xFract="0.39368386"
                           y3="3.50906"
                           yFract="0.39118909"
                           z3="7.92028"
                           zFract="0.35000889"/>
                     <atom elementType="Cu"
                           id="a17"
                           x3="5.1870"
                           xFract="0.16843382"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a18"
                           x3="6.47529"
                           xFract="0.16843391"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a19"
                           x3="7.77327"
                           xFract="0.4184344"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a20"
                           x3="9.06156"
                           xFract="0.41843449"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="6.34936"
                           xFract="0.24343314"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="7.63765"
                           xFract="0.24343323"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="8.93563"
                           xFract="0.49343372"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="10.22391"
                           xFract="0.49343285"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="3.61992"
                           xFract="0.06648263"
                           y3="5.10408"
                           yFract="0.5690015"
                           z3="5.6939"
                           zFract="0.24949535"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.22722"
                           xFract="0.31954061"
                           y3="5.08563"
                           yFract="0.5669447"
                           z3="5.86947"
                           zFract="0.25028083"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.93788"
                           xFract="0.07091119"
                           y3="7.31854"
                           yFract="0.81586892"
                           z3="5.84873"
                           zFract="0.24929414"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.51446"
                           xFract="0.31912879"
                           y3="7.33378"
                           yFract="0.81756787"
                           z3="5.99043"
                           zFract="0.24851504"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.80114"
                           xFract="0.14225161"
                           y3="5.79582"
                           yFract="0.64611649"
                           z3="7.88126"
                           zFract="0.34806478"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="7.40189"
                           xFract="0.39552496"
                           y3="5.76209"
                           yFract="0.64235628"
                           z3="8.03014"
                           zFract="0.34763624"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.06775"
                           xFract="0.14182973"
                           y3="8.00824"
                           yFract="0.89275649"
                           z3="8.02706"
                           zFract="0.34758938"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.68918"
                           xFract="0.39420449"
                           y3="8.02669"
                           yFract="0.89481329"
                           z3="8.19457"
                           zFract="0.34789243"/>
                     <atom elementType="Cu"
                           id="a33"
                           x3="7.78295"
                           xFract="0.66843382"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a34"
                           x3="9.07124"
                           xFract="0.66843391"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a35"
                           x3="10.36922"
                           xFract="0.9184344"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a36"
                           x3="11.65751"
                           xFract="0.91843449"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a37"
                           x3="8.94531"
                           xFract="0.74343314"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a38"
                           x3="10.2336"
                           xFract="0.74343323"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a39"
                           x3="11.53158"
                           xFract="0.99343372"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a40"
                           x3="12.81986"
                           xFract="0.99343285"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a41"
                           x3="6.25436"
                           xFract="0.57161374"
                           y3="0.59356"
                           yFract="0.06616991"
                           z3="5.69266"
                           zFract="0.24936825"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="8.82623"
                           xFract="0.81799499"
                           y3="0.63367"
                           yFract="0.07064137"
                           z3="5.85594"
                           zFract="0.24957868"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="7.50689"
                           xFract="0.56697596"
                           y3="2.85739"
                           yFract="0.31854109"
                           z3="5.84264"
                           zFract="0.24904471"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.09831"
                           xFract="0.81772203"
                           y3="2.85293"
                           yFract="0.31804389"
                           z3="6.00059"
                           zFract="0.24902186"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.39452"
                           xFract="0.64534616"
                           y3="1.2505"
                           yFract="0.13940541"
                           z3="7.88844"
                           zFract="0.34851127"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="9.9728"
                           xFract="0.89447332"
                           y3="1.25232"
                           yFract="0.1396083"
                           z3="8.04611"
                           zFract="0.34850264"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="8.68608"
                           xFract="0.64345665"
                           y3="3.53278"
                           yFract="0.39383339"
                           z3="8.0291"
                           zFract="0.34760486"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.2630"
                           xFract="0.8924568"
                           y3="3.53452"
                           yFract="0.39402736"
                           z3="8.17163"
                           zFract="0.34688645"/>
                     <atom elementType="Cu"
                           id="a49"
                           x3="10.35953"
                           xFract="0.66843401"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.90692"
                           zFract="0.05000395"/>
                     <atom elementType="Cu"
                           id="a50"
                           x3="11.64782"
                           xFract="0.66843411"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.0652"
                           zFract="0.05000409"/>
                     <atom elementType="Cu"
                           id="a51"
                           x3="12.9458"
                           xFract="0.91843459"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="2.0652"
                           zFract="0.05000408"/>
                     <atom elementType="Cu"
                           id="a52"
                           x3="14.23408"
                           xFract="0.91843372"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.22348"
                           zFract="0.05000424"/>
                     <atom elementType="Cu"
                           id="a53"
                           x3="11.52189"
                           xFract="0.74343333"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.1228"
                           zFract="0.15000418"/>
                     <atom elementType="Cu"
                           id="a54"
                           x3="12.81018"
                           xFract="0.74343343"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.28107"
                           zFract="0.15000385"/>
                     <atom elementType="Cu"
                           id="a55"
                           x3="14.10815"
                           xFract="0.99343294"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.28107"
                           zFract="0.15000386"/>
                     <atom elementType="Cu"
                           id="a56"
                           x3="15.39644"
                           xFract="0.99343304"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.43935"
                           zFract="0.150004"/>
                     <atom elementType="Cu"
                           id="a57"
                           x3="8.81755"
                           xFract="0.56934502"
                           y3="5.09623"
                           yFract="0.56812638"
                           z3="6.0370"
                           zFract="0.25068767"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="11.3994"
                           xFract="0.81968689"
                           y3="5.08239"
                           yFract="0.5665835"
                           z3="6.18148"
                           zFract="0.25007299"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="10.09058"
                           xFract="0.56791722"
                           y3="7.33794"
                           yFract="0.81803162"
                           z3="6.16013"
                           zFract="0.24907595"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.67555"
                           xFract="0.81855957"
                           y3="7.32412"
                           yFract="0.81649097"
                           z3="6.30594"
                           zFract="0.24851495"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.97417"
                           xFract="0.64472685"
                           y3="5.75212"
                           yFract="0.64124483"
                           z3="8.20097"
                           zFract="0.34828511"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="12.58561"
                           xFract="0.89618813"
                           y3="5.76963"
                           yFract="0.64319684"
                           z3="8.3800"
                           zFract="0.34916172"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="11.26896"
                           xFract="0.64267478"
                           y3="8.04295"
                           yFract="0.89662595"
                           z3="8.36271"
                           zFract="0.34834902"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.85897"
                           xFract="0.89422636"
                           y3="8.02153"
                           yFract="0.89423806"
                           z3="8.43754"
                           zFract="0.34443949"/>
                     <atom elementType="Br"
                           id="a65"
                           x3="4.09009"
                           xFract="0.14428215"
                           y3="4.52151"
                           yFract="0.50405675"
                           z3="9.88327"
                           zFract="0.44663871"/>
                     <atom elementType="Br"
                           id="a66"
                           x3="7.22445"
                           xFract="0.30058427"
                           y3="7.1629"
                           yFract="0.79851821"
                           z3="10.12723"
                           zFract="0.44468568"/>
                     <atom elementType="Br"
                           id="a67"
                           x3="7.40154"
                           xFract="0.57148533"
                           y3="2.5928"
                           yFract="0.28904466"
                           z3="10.00307"
                           zFract="0.44595316"/>
                     <atom elementType="Br"
                           id="a68"
                           x3="11.23177"
                           xFract="0.97429839"
                           y3="2.00636"
                           yFract="0.22366849"
                           z3="10.17582"
                           zFract="0.4440255"/>
                     <atom elementType="Br"
                           id="a69"
                           x3="11.09873"
                           xFract="0.71078013"
                           y3="6.52019"
                           yFract="0.72686907"
                           z3="10.35492"
                           zFract="0.44531528"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a33" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a4 a33" order="S"/>
                     <bond atomRefs2="a4 a19" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a17" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a34" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a26" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a33" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a41" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a37" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a21" order="S"/>
                     <bond atomRefs2="a8 a26" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a34" order="S"/>
                     <bond atomRefs2="a8 a38" order="S"/>
                     <bond atomRefs2="a8 a37" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a23" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a25" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a26" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a29" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a16 a67" order="S"/>
                     <bond atomRefs2="a16 a43" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a26" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a30" order="S"/>
                     <bond atomRefs2="a16 a47" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a23" order="S"/>
                     <bond atomRefs2="a19 a34" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a27" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a26" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a23" order="S"/>
                     <bond atomRefs2="a22 a28" order="S"/>
                     <bond atomRefs2="a22 a24" order="S"/>
                     <bond atomRefs2="a22 a23" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a24" order="S"/>
                     <bond atomRefs2="a23 a59" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a57" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a30 a61" order="S"/>
                     <bond atomRefs2="a30 a47" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a66" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a61" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a33 a35" order="S"/>
                     <bond atomRefs2="a33 a34" order="S"/>
                     <bond atomRefs2="a33 a37" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a35" order="S"/>
                     <bond atomRefs2="a34 a38" order="S"/>
                     <bond atomRefs2="a34 a37" order="S"/>
                     <bond atomRefs2="a34 a36" order="S"/>
                     <bond atomRefs2="a35 a36" order="S"/>
                     <bond atomRefs2="a35 a39" order="S"/>
                     <bond atomRefs2="a35 a37" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a40" order="S"/>
                     <bond atomRefs2="a36 a39" order="S"/>
                     <bond atomRefs2="a36 a38" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a44" order="S"/>
                     <bond atomRefs2="a38 a40" order="S"/>
                     <bond atomRefs2="a38 a39" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a57" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a58" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a45 a67" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a46 a68" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a57" order="S"/>
                     <bond atomRefs2="a47 a61" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a47 a67" order="S"/>
                     <bond atomRefs2="a48 a68" order="S"/>
                     <bond atomRefs2="a48 a58" order="S"/>
                     <bond atomRefs2="a48 a62" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a61 a69" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a62 a69" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                     <bond atomRefs2="a63 a69" order="S"/>
                  </bondArray>
                  <formula concise="Br5Cu64">
                     <atomArray count="5 64" elementType="Br Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4466.463999999996</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.100">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">10.364410710831562</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">10.364412581405663</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.16843459"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.16843372"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.4184342"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.4184343"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.24343294"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.24343304"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.49343352"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.49343362"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.05836"
                           xFract="0.06878008"
                           y3="0.60373"
                           yFract="0.06730366"
                           z3="5.37128"
                           zFract="0.24919145"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="3.62651"
                           xFract="0.31707296"
                           y3="0.60294"
                           yFract="0.06721559"
                           z3="5.53289"
                           zFract="0.24940218"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="2.35846"
                           xFract="0.06948919"
                           y3="2.85408"
                           yFract="0.31817209"
                           z3="5.52767"
                           zFract="0.24905538"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.94435"
                           xFract="0.31874891"
                           y3="2.86676"
                           yFract="0.31958565"
                           z3="5.6804"
                           zFract="0.24877375"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.26537"
                           xFract="0.14827983"
                           y3="1.27318"
                           yFract="0.14193377"
                           z3="7.56154"
                           zFract="0.34786041"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="4.81652"
                           xFract="0.39511489"
                           y3="1.26905"
                           yFract="0.14147336"
                           z3="7.64452"
                           zFract="0.34441841"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="3.51744"
                           xFract="0.14585937"
                           y3="3.49628"
                           yFract="0.38976438"
                           z3="7.69997"
                           zFract="0.34706164"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.08849"
                           xFract="0.39367903"
                           y3="3.50906"
                           yFract="0.39118909"
                           z3="7.92028"
                           zFract="0.35000903"/>
                     <atom elementType="Cu"
                           id="a17"
                           x3="5.1870"
                           xFract="0.16843382"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a18"
                           x3="6.47529"
                           xFract="0.16843391"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a19"
                           x3="7.77327"
                           xFract="0.4184344"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a20"
                           x3="9.06156"
                           xFract="0.41843449"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="6.34936"
                           xFract="0.24343314"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="7.63765"
                           xFract="0.24343323"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="8.93563"
                           xFract="0.49343372"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="10.22391"
                           xFract="0.49343285"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="3.61986"
                           xFract="0.06647738"
                           y3="5.10407"
                           yFract="0.56900038"
                           z3="5.69396"
                           zFract="0.24949837"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.22719"
                           xFract="0.31953216"
                           y3="5.08573"
                           yFract="0.56695585"
                           z3="5.86951"
                           zFract="0.25028263"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.93784"
                           xFract="0.07090676"
                           y3="7.31855"
                           yFract="0.81587003"
                           z3="5.84877"
                           zFract="0.24929613"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.51443"
                           xFract="0.31912312"
                           y3="7.33383"
                           yFract="0.81757344"
                           z3="5.99044"
                           zFract="0.24851551"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.80117"
                           xFract="0.14225451"
                           y3="5.79582"
                           yFract="0.64611649"
                           z3="7.88133"
                           zFract="0.34806799"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="7.40196"
                           xFract="0.39552729"
                           y3="5.76217"
                           yFract="0.6423652"
                           z3="8.03014"
                           zFract="0.34763591"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.06773"
                           xFract="0.14182835"
                           y3="8.00823"
                           yFract="0.89275538"
                           z3="8.02705"
                           zFract="0.34758899"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.68915"
                           xFract="0.39419604"
                           y3="8.02679"
                           yFract="0.89482444"
                           z3="8.19456"
                           zFract="0.34789188"/>
                     <atom elementType="Cu"
                           id="a33"
                           x3="7.78295"
                           xFract="0.66843382"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a34"
                           x3="9.07124"
                           xFract="0.66843391"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a35"
                           x3="10.36922"
                           xFract="0.9184344"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a36"
                           x3="11.65751"
                           xFract="0.91843449"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a37"
                           x3="8.94531"
                           xFract="0.74343314"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a38"
                           x3="10.2336"
                           xFract="0.74343323"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a39"
                           x3="11.53158"
                           xFract="0.99343372"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a40"
                           x3="12.81986"
                           xFract="0.99343285"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a41"
                           x3="6.25437"
                           xFract="0.57161415"
                           y3="0.59357"
                           yFract="0.06617103"
                           z3="5.69261"
                           zFract="0.24936584"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="8.82624"
                           xFract="0.81799485"
                           y3="0.63369"
                           yFract="0.07064359"
                           z3="5.85594"
                           zFract="0.24957862"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="7.50686"
                           xFract="0.56697251"
                           y3="2.8574"
                           yFract="0.3185422"
                           z3="5.84261"
                           zFract="0.24904336"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.09828"
                           xFract="0.81771636"
                           y3="2.85298"
                           yFract="0.31804946"
                           z3="6.00059"
                           zFract="0.24902186"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.39455"
                           xFract="0.64534962"
                           y3="1.25049"
                           yFract="0.1394043"
                           z3="7.88837"
                           zFract="0.3485079"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="9.97277"
                           xFract="0.89446543"
                           y3="1.25241"
                           yFract="0.13961834"
                           z3="8.04615"
                           zFract="0.34850447"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="8.68614"
                           xFract="0.64345857"
                           y3="3.53285"
                           yFract="0.39384119"
                           z3="8.02905"
                           zFract="0.34760221"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.26298"
                           xFract="0.8924482"
                           y3="3.53464"
                           yFract="0.39404074"
                           z3="8.17157"
                           zFract="0.34688348"/>
                     <atom elementType="Cu"
                           id="a49"
                           x3="10.35953"
                           xFract="0.66843401"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.90692"
                           zFract="0.05000395"/>
                     <atom elementType="Cu"
                           id="a50"
                           x3="11.64782"
                           xFract="0.66843411"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.0652"
                           zFract="0.05000409"/>
                     <atom elementType="Cu"
                           id="a51"
                           x3="12.9458"
                           xFract="0.91843459"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="2.0652"
                           zFract="0.05000408"/>
                     <atom elementType="Cu"
                           id="a52"
                           x3="14.23408"
                           xFract="0.91843372"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.22348"
                           zFract="0.05000424"/>
                     <atom elementType="Cu"
                           id="a53"
                           x3="11.52189"
                           xFract="0.74343333"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.1228"
                           zFract="0.15000418"/>
                     <atom elementType="Cu"
                           id="a54"
                           x3="12.81018"
                           xFract="0.74343343"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.28107"
                           zFract="0.15000385"/>
                     <atom elementType="Cu"
                           id="a55"
                           x3="14.10815"
                           xFract="0.99343294"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.28107"
                           zFract="0.15000386"/>
                     <atom elementType="Cu"
                           id="a56"
                           x3="15.39644"
                           xFract="0.99343304"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.43935"
                           zFract="0.150004"/>
                     <atom elementType="Cu"
                           id="a57"
                           x3="8.81755"
                           xFract="0.56934502"
                           y3="5.09623"
                           yFract="0.56812638"
                           z3="6.03698"
                           zFract="0.25068672"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="11.39941"
                           xFract="0.81968397"
                           y3="5.08246"
                           yFract="0.56659131"
                           z3="6.18147"
                           zFract="0.25007238"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="10.0906"
                           xFract="0.56791749"
                           y3="7.33797"
                           yFract="0.81803497"
                           z3="6.16009"
                           zFract="0.24907395"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.67556"
                           xFract="0.81855999"
                           y3="7.32413"
                           yFract="0.81649209"
                           z3="6.30592"
                           zFract="0.24851396"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.9742"
                           xFract="0.64472253"
                           y3="5.75225"
                           yFract="0.64125932"
                           z3="8.20095"
                           zFract="0.34828387"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="12.58561"
                           xFract="0.89618479"
                           y3="5.76969"
                           yFract="0.64320353"
                           z3="8.38003"
                           zFract="0.34916304"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="11.26894"
                           xFract="0.6426684"
                           y3="8.04303"
                           yFract="0.89663487"
                           z3="8.36268"
                           zFract="0.34834753"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.85898"
                           xFract="0.89422344"
                           y3="8.0216"
                           yFract="0.89424586"
                           z3="8.43759"
                           zFract="0.3444417"/>
                     <atom elementType="Br"
                           id="a65"
                           x3="4.09017"
                           xFract="0.14427767"
                           y3="4.52173"
                           yFract="0.50408127"
                           z3="9.8834"
                           zFract="0.44664424"/>
                     <atom elementType="Br"
                           id="a66"
                           x3="7.22443"
                           xFract="0.30058345"
                           y3="7.16288"
                           yFract="0.79851598"
                           z3="10.12718"
                           zFract="0.44468341"/>
                     <atom elementType="Br"
                           id="a67"
                           x3="7.40145"
                           xFract="0.5714733"
                           y3="2.59286"
                           yFract="0.28905135"
                           z3="10.00311"
                           zFract="0.4459552"/>
                     <atom elementType="Br"
                           id="a68"
                           x3="11.23191"
                           xFract="0.97429748"
                           y3="2.00662"
                           yFract="0.22369747"
                           z3="10.17583"
                           zFract="0.44402513"/>
                     <atom elementType="Br"
                           id="a69"
                           x3="11.09886"
                           xFract="0.71077937"
                           y3="6.52043"
                           yFract="0.72689582"
                           z3="10.35496"
                           zFract="0.44531639"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a33" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a4 a33" order="S"/>
                     <bond atomRefs2="a4 a19" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a17" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a34" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a26" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a33" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a41" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a37" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a21" order="S"/>
                     <bond atomRefs2="a8 a26" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a34" order="S"/>
                     <bond atomRefs2="a8 a38" order="S"/>
                     <bond atomRefs2="a8 a37" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a23" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a25" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a26" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a29" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a16 a67" order="S"/>
                     <bond atomRefs2="a16 a43" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a26" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a30" order="S"/>
                     <bond atomRefs2="a16 a47" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a23" order="S"/>
                     <bond atomRefs2="a19 a34" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a27" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a26" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a23" order="S"/>
                     <bond atomRefs2="a22 a28" order="S"/>
                     <bond atomRefs2="a22 a24" order="S"/>
                     <bond atomRefs2="a22 a23" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a24" order="S"/>
                     <bond atomRefs2="a23 a59" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a57" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a30 a61" order="S"/>
                     <bond atomRefs2="a30 a47" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a66" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a61" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a33 a35" order="S"/>
                     <bond atomRefs2="a33 a34" order="S"/>
                     <bond atomRefs2="a33 a37" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a35" order="S"/>
                     <bond atomRefs2="a34 a38" order="S"/>
                     <bond atomRefs2="a34 a37" order="S"/>
                     <bond atomRefs2="a34 a36" order="S"/>
                     <bond atomRefs2="a35 a36" order="S"/>
                     <bond atomRefs2="a35 a39" order="S"/>
                     <bond atomRefs2="a35 a37" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a40" order="S"/>
                     <bond atomRefs2="a36 a39" order="S"/>
                     <bond atomRefs2="a36 a38" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a44" order="S"/>
                     <bond atomRefs2="a38 a40" order="S"/>
                     <bond atomRefs2="a38 a39" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a57" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a58" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a45 a67" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a46 a68" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a57" order="S"/>
                     <bond atomRefs2="a47 a61" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a47 a67" order="S"/>
                     <bond atomRefs2="a48 a68" order="S"/>
                     <bond atomRefs2="a48 a58" order="S"/>
                     <bond atomRefs2="a48 a62" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a61 a69" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a62 a69" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                     <bond atomRefs2="a63 a69" order="S"/>
                  </bondArray>
                  <formula concise="Br5Cu64">
                     <atomArray count="5 64" elementType="Br Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4466.463999999996</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.101">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">10.364410710831562</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">10.364412581405663</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.16843459"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.16843372"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.4184342"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.4184343"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.24343294"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.24343304"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.49343352"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.49343362"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.05792"
                           xFract="0.06868257"
                           y3="0.60472"
                           yFract="0.06741403"
                           z3="5.3716"
                           zFract="0.24920615"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="3.62641"
                           xFract="0.31701221"
                           y3="0.60386"
                           yFract="0.06731815"
                           z3="5.53271"
                           zFract="0.24939245"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="2.3586"
                           xFract="0.06945552"
                           y3="2.85493"
                           yFract="0.31826685"
                           z3="5.5278"
                           zFract="0.24905969"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.94417"
                           xFract="0.3186682"
                           y3="2.8679"
                           yFract="0.31971274"
                           z3="5.6807"
                           zFract="0.24878651"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.26486"
                           xFract="0.14817389"
                           y3="1.2742"
                           yFract="0.14204748"
                           z3="7.56182"
                           zFract="0.34787338"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="4.81633"
                           xFract="0.39506154"
                           y3="1.26968"
                           yFract="0.14154359"
                           z3="7.64397"
                           zFract="0.34439197"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="3.51749"
                           xFract="0.14585754"
                           y3="3.4964"
                           yFract="0.38977775"
                           z3="7.70225"
                           zFract="0.3471688"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.08869"
                           xFract="0.39368892"
                           y3="3.50923"
                           yFract="0.39120804"
                           z3="7.91984"
                           zFract="0.34998742"/>
                     <atom elementType="Cu"
                           id="a17"
                           x3="5.1870"
                           xFract="0.16843382"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a18"
                           x3="6.47529"
                           xFract="0.16843391"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a19"
                           x3="7.77327"
                           xFract="0.4184344"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a20"
                           x3="9.06156"
                           xFract="0.41843449"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="6.34936"
                           xFract="0.24343314"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="7.63765"
                           xFract="0.24343323"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="8.93563"
                           xFract="0.49343372"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="10.22391"
                           xFract="0.49343285"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="3.61894"
                           xFract="0.06639623"
                           y3="5.10393"
                           yFract="0.56898478"
                           z3="5.69528"
                           zFract="0.2495635"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.22752"
                           xFract="0.31952907"
                           y3="5.08636"
                           yFract="0.56702608"
                           z3="5.87003"
                           zFract="0.25030514"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.93746"
                           xFract="0.07085559"
                           y3="7.31881"
                           yFract="0.81589902"
                           z3="5.84941"
                           zFract="0.24932697"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.51413"
                           xFract="0.31907857"
                           y3="7.33411"
                           yFract="0.81760466"
                           z3="5.98957"
                           zFract="0.24847489"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.80202"
                           xFract="0.14229392"
                           y3="5.79659"
                           yFract="0.64620233"
                           z3="7.88199"
                           zFract="0.34809537"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="7.40209"
                           xFract="0.39547988"
                           y3="5.76325"
                           yFract="0.6424856"
                           z3="8.03023"
                           zFract="0.34763797"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.06677"
                           xFract="0.14171557"
                           y3="8.00859"
                           yFract="0.89279551"
                           z3="8.02741"
                           zFract="0.34760813"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.68932"
                           xFract="0.39413472"
                           y3="8.02819"
                           yFract="0.89498051"
                           z3="8.19447"
                           zFract="0.3478848"/>
                     <atom elementType="Cu"
                           id="a33"
                           x3="7.78295"
                           xFract="0.66843382"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a34"
                           x3="9.07124"
                           xFract="0.66843391"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a35"
                           x3="10.36922"
                           xFract="0.9184344"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a36"
                           x3="11.65751"
                           xFract="0.91843449"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a37"
                           x3="8.94531"
                           xFract="0.74343314"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a38"
                           x3="10.2336"
                           xFract="0.74343323"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a39"
                           x3="11.53158"
                           xFract="0.99343372"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a40"
                           x3="12.81986"
                           xFract="0.99343285"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a41"
                           x3="6.25482"
                           xFract="0.57164376"
                           y3="0.59382"
                           yFract="0.0661989"
                           z3="5.69162"
                           zFract="0.24931745"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="8.8265"
                           xFract="0.81799888"
                           y3="0.63407"
                           yFract="0.07068596"
                           z3="5.85555"
                           zFract="0.24955885"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="7.50627"
                           xFract="0.56688049"
                           y3="2.85803"
                           yFract="0.31861243"
                           z3="5.84272"
                           zFract="0.2490492"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.09851"
                           xFract="0.81772582"
                           y3="2.85321"
                           yFract="0.3180751"
                           z3="6.00028"
                           zFract="0.2490062"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.39485"
                           xFract="0.64531087"
                           y3="1.25171"
                           yFract="0.1395403"
                           z3="7.88827"
                           zFract="0.34850028"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="9.97373"
                           xFract="0.89450158"
                           y3="1.25343"
                           yFract="0.13973205"
                           z3="8.04688"
                           zFract="0.34853441"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="8.6861"
                           xFract="0.64341361"
                           y3="3.53359"
                           yFract="0.39392369"
                           z3="8.02863"
                           zFract="0.34758129"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.26309"
                           xFract="0.89238997"
                           y3="3.53588"
                           yFract="0.39417897"
                           z3="8.17147"
                           zFract="0.34687637"/>
                     <atom elementType="Cu"
                           id="a49"
                           x3="10.35953"
                           xFract="0.66843401"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.90692"
                           zFract="0.05000395"/>
                     <atom elementType="Cu"
                           id="a50"
                           x3="11.64782"
                           xFract="0.66843411"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.0652"
                           zFract="0.05000409"/>
                     <atom elementType="Cu"
                           id="a51"
                           x3="12.9458"
                           xFract="0.91843459"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="2.0652"
                           zFract="0.05000408"/>
                     <atom elementType="Cu"
                           id="a52"
                           x3="14.23408"
                           xFract="0.91843372"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.22348"
                           zFract="0.05000424"/>
                     <atom elementType="Cu"
                           id="a53"
                           x3="11.52189"
                           xFract="0.74343333"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.1228"
                           zFract="0.15000418"/>
                     <atom elementType="Cu"
                           id="a54"
                           x3="12.81018"
                           xFract="0.74343343"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.28107"
                           zFract="0.15000385"/>
                     <atom elementType="Cu"
                           id="a55"
                           x3="14.10815"
                           xFract="0.99343294"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.28107"
                           zFract="0.15000386"/>
                     <atom elementType="Cu"
                           id="a56"
                           x3="15.39644"
                           xFract="0.99343304"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.43935"
                           zFract="0.150004"/>
                     <atom elementType="Cu"
                           id="a57"
                           x3="8.81721"
                           xFract="0.56928606"
                           y3="5.0967"
                           yFract="0.56817878"
                           z3="6.03624"
                           zFract="0.25065203"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="11.3998"
                           xFract="0.81967669"
                           y3="5.08327"
                           yFract="0.5666816"
                           z3="6.18099"
                           zFract="0.25004727"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="10.09019"
                           xFract="0.5678412"
                           y3="7.33863"
                           yFract="0.81810855"
                           z3="6.16045"
                           zFract="0.24909101"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.67538"
                           xFract="0.81852482"
                           y3="7.32445"
                           yFract="0.81652776"
                           z3="6.30603"
                           zFract="0.24851913"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.97436"
                           xFract="0.64465692"
                           y3="5.75371"
                           yFract="0.64142208"
                           z3="8.20085"
                           zFract="0.34827625"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="12.58589"
                           xFract="0.89617521"
                           y3="5.77035"
                           yFract="0.6432771"
                           z3="8.38022"
                           zFract="0.34917008"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="11.26874"
                           xFract="0.64257188"
                           y3="8.04442"
                           yFract="0.89678983"
                           z3="8.36184"
                           zFract="0.34830618"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.85942"
                           xFract="0.89422266"
                           y3="8.02238"
                           yFract="0.89433282"
                           z3="8.43825"
                           zFract="0.34447025"/>
                     <atom elementType="Br"
                           id="a65"
                           x3="4.09014"
                           xFract="0.14404043"
                           y3="4.52595"
                           yFract="0.50455172"
                           z3="9.88509"
                           zFract="0.44671696"/>
                     <atom elementType="Br"
                           id="a66"
                           x3="7.22397"
                           xFract="0.30054453"
                           y3="7.16278"
                           yFract="0.79850483"
                           z3="10.12607"
                           zFract="0.44463257"/>
                     <atom elementType="Br"
                           id="a67"
                           x3="7.4006"
                           xFract="0.57151053"
                           y3="2.59071"
                           yFract="0.28881167"
                           z3="10.00229"
                           zFract="0.44592259"/>
                     <atom elementType="Br"
                           id="a68"
                           x3="11.23328"
                           xFract="0.9743555"
                           y3="2.00796"
                           yFract="0.22384685"
                           z3="10.17596"
                           zFract="0.44402507"/>
                     <atom elementType="Br"
                           id="a69"
                           x3="11.09982"
                           xFract="0.71075445"
                           y3="6.52255"
                           yFract="0.72713216"
                           z3="10.35768"
                           zFract="0.44543833"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a33" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a4 a33" order="S"/>
                     <bond atomRefs2="a4 a19" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a17" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a34" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a26" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a33" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a41" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a37" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a21" order="S"/>
                     <bond atomRefs2="a8 a26" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a34" order="S"/>
                     <bond atomRefs2="a8 a38" order="S"/>
                     <bond atomRefs2="a8 a37" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a23" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a25" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a26" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a29" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a16 a67" order="S"/>
                     <bond atomRefs2="a16 a43" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a26" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a30" order="S"/>
                     <bond atomRefs2="a16 a47" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a23" order="S"/>
                     <bond atomRefs2="a19 a34" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a27" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a26" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a23" order="S"/>
                     <bond atomRefs2="a22 a28" order="S"/>
                     <bond atomRefs2="a22 a24" order="S"/>
                     <bond atomRefs2="a22 a23" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a24" order="S"/>
                     <bond atomRefs2="a23 a59" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a57" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a30 a61" order="S"/>
                     <bond atomRefs2="a30 a47" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a66" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a61" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a33 a35" order="S"/>
                     <bond atomRefs2="a33 a34" order="S"/>
                     <bond atomRefs2="a33 a37" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a35" order="S"/>
                     <bond atomRefs2="a34 a38" order="S"/>
                     <bond atomRefs2="a34 a37" order="S"/>
                     <bond atomRefs2="a34 a36" order="S"/>
                     <bond atomRefs2="a35 a36" order="S"/>
                     <bond atomRefs2="a35 a39" order="S"/>
                     <bond atomRefs2="a35 a37" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a40" order="S"/>
                     <bond atomRefs2="a36 a39" order="S"/>
                     <bond atomRefs2="a36 a38" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a44" order="S"/>
                     <bond atomRefs2="a38 a40" order="S"/>
                     <bond atomRefs2="a38 a39" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a57" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a58" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a45 a67" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a46 a68" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a57" order="S"/>
                     <bond atomRefs2="a47 a61" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a47 a67" order="S"/>
                     <bond atomRefs2="a48 a68" order="S"/>
                     <bond atomRefs2="a48 a58" order="S"/>
                     <bond atomRefs2="a48 a62" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a61 a69" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a62 a69" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                     <bond atomRefs2="a63 a69" order="S"/>
                  </bondArray>
                  <formula concise="Br5Cu64">
                     <atomArray count="5 64" elementType="Br Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4466.463999999996</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.102">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">10.364410710831562</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">10.364412581405663</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.16843459"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.16843372"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.4184342"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.4184343"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.24343294"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.24343304"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.49343352"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.49343362"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.05805"
                           xFract="0.06871179"
                           y3="0.60442"
                           yFract="0.06738058"
                           z3="5.3715"
                           zFract="0.24920156"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="3.62644"
                           xFract="0.3170301"
                           y3="0.60359"
                           yFract="0.06728805"
                           z3="5.53276"
                           zFract="0.24939517"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="2.35856"
                           xFract="0.06946554"
                           y3="2.85468"
                           yFract="0.31823898"
                           z3="5.52777"
                           zFract="0.24905881"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.94422"
                           xFract="0.31869191"
                           y3="2.86756"
                           yFract="0.31967484"
                           z3="5.68061"
                           zFract="0.24878269"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.26501"
                           xFract="0.14820505"
                           y3="1.2739"
                           yFract="0.14201404"
                           z3="7.56173"
                           zFract="0.34786921"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="4.81639"
                           xFract="0.39507789"
                           y3="1.26949"
                           yFract="0.14152241"
                           z3="7.64413"
                           zFract="0.34439966"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="3.51747"
                           xFract="0.14585783"
                           y3="3.49636"
                           yFract="0.38977329"
                           z3="7.70157"
                           zFract="0.34713686"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.08863"
                           xFract="0.3936859"
                           y3="3.50918"
                           yFract="0.39120247"
                           z3="7.91997"
                           zFract="0.34999381"/>
                     <atom elementType="Cu"
                           id="a17"
                           x3="5.1870"
                           xFract="0.16843382"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a18"
                           x3="6.47529"
                           xFract="0.16843391"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a19"
                           x3="7.77327"
                           xFract="0.4184344"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a20"
                           x3="9.06156"
                           xFract="0.41843449"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="6.34936"
                           xFract="0.24343314"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="7.63765"
                           xFract="0.24343323"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="8.93563"
                           xFract="0.49343372"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="10.22391"
                           xFract="0.49343285"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="3.61922"
                           xFract="0.06642107"
                           y3="5.10397"
                           yFract="0.56898924"
                           z3="5.69489"
                           zFract="0.24954424"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.22742"
                           xFract="0.31952996"
                           y3="5.08617"
                           yFract="0.5670049"
                           z3="5.86988"
                           zFract="0.25029868"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.93758"
                           xFract="0.07087164"
                           y3="7.31873"
                           yFract="0.8158901"
                           z3="5.84922"
                           zFract="0.2493178"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.51422"
                           xFract="0.31909171"
                           y3="7.33403"
                           yFract="0.81759574"
                           z3="5.98983"
                           zFract="0.24848702"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.80176"
                           xFract="0.14228156"
                           y3="5.79636"
                           yFract="0.64617669"
                           z3="7.88179"
                           zFract="0.34808707"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="7.40205"
                           xFract="0.39549434"
                           y3="5.76292"
                           yFract="0.64244881"
                           z3="8.0302"
                           zFract="0.34763723"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.06706"
                           xFract="0.14174971"
                           y3="8.00848"
                           yFract="0.89278325"
                           z3="8.0273"
                           zFract="0.34760229"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.68927"
                           xFract="0.39415266"
                           y3="8.02778"
                           yFract="0.89493481"
                           z3="8.1945"
                           zFract="0.34788705"/>
                     <atom elementType="Cu"
                           id="a33"
                           x3="7.78295"
                           xFract="0.66843382"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a34"
                           x3="9.07124"
                           xFract="0.66843391"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a35"
                           x3="10.36922"
                           xFract="0.9184344"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a36"
                           x3="11.65751"
                           xFract="0.91843449"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a37"
                           x3="8.94531"
                           xFract="0.74343314"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a38"
                           x3="10.2336"
                           xFract="0.74343323"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a39"
                           x3="11.53158"
                           xFract="0.99343372"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a40"
                           x3="12.81986"
                           xFract="0.99343285"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a41"
                           x3="6.25469"
                           xFract="0.57163564"
                           y3="0.59374"
                           yFract="0.06618998"
                           z3="5.69191"
                           zFract="0.24933163"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="8.82643"
                           xFract="0.81799822"
                           y3="0.63396"
                           yFract="0.07067369"
                           z3="5.85567"
                           zFract="0.24956489"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="7.50645"
                           xFract="0.56690844"
                           y3="2.85784"
                           yFract="0.31859125"
                           z3="5.84268"
                           zFract="0.24904711"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.09844"
                           xFract="0.81772294"
                           y3="2.85314"
                           yFract="0.3180673"
                           z3="6.00038"
                           zFract="0.24901123"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.39476"
                           xFract="0.64532216"
                           y3="1.25135"
                           yFract="0.13950017"
                           z3="7.8883"
                           zFract="0.34850255"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="9.97344"
                           xFract="0.89449021"
                           y3="1.25313"
                           yFract="0.1396986"
                           z3="8.04666"
                           zFract="0.34852538"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="8.68611"
                           xFract="0.64342679"
                           y3="3.53337"
                           yFract="0.39389916"
                           z3="8.02875"
                           zFract="0.34758728"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.26306"
                           xFract="0.89240762"
                           y3="3.53551"
                           yFract="0.39413773"
                           z3="8.1715"
                           zFract="0.34687849"/>
                     <atom elementType="Cu"
                           id="a49"
                           x3="10.35953"
                           xFract="0.66843401"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.90692"
                           zFract="0.05000395"/>
                     <atom elementType="Cu"
                           id="a50"
                           x3="11.64782"
                           xFract="0.66843411"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.0652"
                           zFract="0.05000409"/>
                     <atom elementType="Cu"
                           id="a51"
                           x3="12.9458"
                           xFract="0.91843459"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="2.0652"
                           zFract="0.05000408"/>
                     <atom elementType="Cu"
                           id="a52"
                           x3="14.23408"
                           xFract="0.91843372"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.22348"
                           zFract="0.05000424"/>
                     <atom elementType="Cu"
                           id="a53"
                           x3="11.52189"
                           xFract="0.74343333"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.1228"
                           zFract="0.15000418"/>
                     <atom elementType="Cu"
                           id="a54"
                           x3="12.81018"
                           xFract="0.74343343"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.28107"
                           zFract="0.15000385"/>
                     <atom elementType="Cu"
                           id="a55"
                           x3="14.10815"
                           xFract="0.99343294"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.28107"
                           zFract="0.15000386"/>
                     <atom elementType="Cu"
                           id="a56"
                           x3="15.39644"
                           xFract="0.99343304"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.43935"
                           zFract="0.150004"/>
                     <atom elementType="Cu"
                           id="a57"
                           x3="8.81731"
                           xFract="0.5693035"
                           y3="5.09656"
                           yFract="0.56816317"
                           z3="6.03646"
                           zFract="0.25066235"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="11.39968"
                           xFract="0.81967842"
                           y3="5.08303"
                           yFract="0.56665485"
                           z3="6.18113"
                           zFract="0.25005461"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="10.09031"
                           xFract="0.56786391"
                           y3="7.33843"
                           yFract="0.81808625"
                           z3="6.16034"
                           zFract="0.24908581"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.67543"
                           xFract="0.81853465"
                           y3="7.32436"
                           yFract="0.81651773"
                           z3="6.3060"
                           zFract="0.24851772"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.97431"
                           xFract="0.64467597"
                           y3="5.75328"
                           yFract="0.64137414"
                           z3="8.20088"
                           zFract="0.34827853"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="12.58581"
                           xFract="0.89617858"
                           y3="5.77015"
                           yFract="0.64325481"
                           z3="8.38016"
                           zFract="0.34916782"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="11.2688"
                           xFract="0.64260045"
                           y3="8.04401"
                           yFract="0.89674412"
                           z3="8.36209"
                           zFract="0.34831848"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.85929"
                           xFract="0.89422342"
                           y3="8.02214"
                           yFract="0.89430606"
                           z3="8.43805"
                           zFract="0.3444616"/>
                     <atom elementType="Br"
                           id="a65"
                           x3="4.09014"
                           xFract="0.14410984"
                           y3="4.5247"
                           yFract="0.50441237"
                           z3="9.88459"
                           zFract="0.44669547"/>
                     <atom elementType="Br"
                           id="a66"
                           x3="7.2241"
                           xFract="0.30055543"
                           y3="7.16281"
                           yFract="0.79850818"
                           z3="10.1264"
                           zFract="0.4446477"/>
                     <atom elementType="Br"
                           id="a67"
                           x3="7.40085"
                           xFract="0.57149915"
                           y3="2.59135"
                           yFract="0.28888302"
                           z3="10.00254"
                           zFract="0.44593258"/>
                     <atom elementType="Br"
                           id="a68"
                           x3="11.23287"
                           xFract="0.97433808"
                           y3="2.00756"
                           yFract="0.22380226"
                           z3="10.17592"
                           zFract="0.44402503"/>
                     <atom elementType="Br"
                           id="a69"
                           x3="11.09953"
                           xFract="0.7107614"
                           y3="6.52192"
                           yFract="0.72706193"
                           z3="10.35687"
                           zFract="0.44540203"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a33" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a4 a33" order="S"/>
                     <bond atomRefs2="a4 a19" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a17" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a34" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a26" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a33" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a41" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a37" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a21" order="S"/>
                     <bond atomRefs2="a8 a26" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a34" order="S"/>
                     <bond atomRefs2="a8 a38" order="S"/>
                     <bond atomRefs2="a8 a37" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a23" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a25" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a26" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a29" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a16 a67" order="S"/>
                     <bond atomRefs2="a16 a43" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a26" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a30" order="S"/>
                     <bond atomRefs2="a16 a47" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a23" order="S"/>
                     <bond atomRefs2="a19 a34" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a27" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a26" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a23" order="S"/>
                     <bond atomRefs2="a22 a28" order="S"/>
                     <bond atomRefs2="a22 a24" order="S"/>
                     <bond atomRefs2="a22 a23" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a24" order="S"/>
                     <bond atomRefs2="a23 a59" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a57" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a30 a61" order="S"/>
                     <bond atomRefs2="a30 a47" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a66" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a61" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a33 a35" order="S"/>
                     <bond atomRefs2="a33 a34" order="S"/>
                     <bond atomRefs2="a33 a37" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a35" order="S"/>
                     <bond atomRefs2="a34 a38" order="S"/>
                     <bond atomRefs2="a34 a37" order="S"/>
                     <bond atomRefs2="a34 a36" order="S"/>
                     <bond atomRefs2="a35 a36" order="S"/>
                     <bond atomRefs2="a35 a39" order="S"/>
                     <bond atomRefs2="a35 a37" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a40" order="S"/>
                     <bond atomRefs2="a36 a39" order="S"/>
                     <bond atomRefs2="a36 a38" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a44" order="S"/>
                     <bond atomRefs2="a38 a40" order="S"/>
                     <bond atomRefs2="a38 a39" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a57" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a58" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a45 a67" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a46 a68" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a57" order="S"/>
                     <bond atomRefs2="a47 a61" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a47 a67" order="S"/>
                     <bond atomRefs2="a48 a68" order="S"/>
                     <bond atomRefs2="a48 a58" order="S"/>
                     <bond atomRefs2="a48 a62" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a61 a69" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a62 a69" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                     <bond atomRefs2="a63 a69" order="S"/>
                  </bondArray>
                  <formula concise="Br5Cu64">
                     <atomArray count="5 64" elementType="Br Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4466.463999999996</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.103">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">10.364410710831562</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">10.364412581405663</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.16843459"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.16843372"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.4184342"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.4184343"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.24343294"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.24343304"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.49343352"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.49343362"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.05802"
                           xFract="0.06870445"
                           y3="0.6045"
                           yFract="0.0673895"
                           z3="5.37153"
                           zFract="0.24920293"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="3.62643"
                           xFract="0.31702525"
                           y3="0.60366"
                           yFract="0.06729586"
                           z3="5.53275"
                           zFract="0.24939461"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="2.35857"
                           xFract="0.06946318"
                           y3="2.85474"
                           yFract="0.31824567"
                           z3="5.52778"
                           zFract="0.24905915"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.94421"
                           xFract="0.31868651"
                           y3="2.86764"
                           yFract="0.31968375"
                           z3="5.68063"
                           zFract="0.24878353"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.26497"
                           xFract="0.14819729"
                           y3="1.27397"
                           yFract="0.14202184"
                           z3="7.56175"
                           zFract="0.34787015"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="4.81637"
                           xFract="0.39507318"
                           y3="1.26954"
                           yFract="0.14152799"
                           z3="7.64409"
                           zFract="0.34439775"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="3.51748"
                           xFract="0.14585824"
                           y3="3.49637"
                           yFract="0.38977441"
                           z3="7.70174"
                           zFract="0.34714483"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.08865"
                           xFract="0.39368728"
                           y3="3.50919"
                           yFract="0.39120358"
                           z3="7.91994"
                           zFract="0.34999232"/>
                     <atom elementType="Cu"
                           id="a17"
                           x3="5.1870"
                           xFract="0.16843382"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a18"
                           x3="6.47529"
                           xFract="0.16843391"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a19"
                           x3="7.77327"
                           xFract="0.4184344"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a20"
                           x3="9.06156"
                           xFract="0.41843449"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="6.34936"
                           xFract="0.24343314"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="7.63765"
                           xFract="0.24343323"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="8.93563"
                           xFract="0.49343372"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="10.22391"
                           xFract="0.49343285"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="3.61915"
                           xFract="0.06641486"
                           y3="5.10396"
                           yFract="0.56898812"
                           z3="5.69499"
                           zFract="0.24954917"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.22745"
                           xFract="0.31953008"
                           y3="5.08622"
                           yFract="0.56701047"
                           z3="5.86992"
                           zFract="0.25030039"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.93755"
                           xFract="0.07086763"
                           y3="7.31875"
                           yFract="0.81589233"
                           z3="5.84927"
                           zFract="0.24932021"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.5142"
                           xFract="0.31908867"
                           y3="7.33405"
                           yFract="0.81759797"
                           z3="5.98976"
                           zFract="0.24848374"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.80183"
                           xFract="0.14228499"
                           y3="5.79642"
                           yFract="0.64618338"
                           z3="7.88184"
                           zFract="0.34808913"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="7.40206"
                           xFract="0.39549031"
                           y3="5.76301"
                           yFract="0.64245884"
                           z3="8.03021"
                           zFract="0.34763752"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.06699"
                           xFract="0.14174127"
                           y3="8.00851"
                           yFract="0.89278659"
                           z3="8.02733"
                           zFract="0.34760385"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.68928"
                           xFract="0.39414807"
                           y3="8.02788"
                           yFract="0.89494595"
                           z3="8.19449"
                           zFract="0.34788638"/>
                     <atom elementType="Cu"
                           id="a33"
                           x3="7.78295"
                           xFract="0.66843382"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a34"
                           x3="9.07124"
                           xFract="0.66843391"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a35"
                           x3="10.36922"
                           xFract="0.9184344"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a36"
                           x3="11.65751"
                           xFract="0.91843449"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a37"
                           x3="8.94531"
                           xFract="0.74343314"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a38"
                           x3="10.2336"
                           xFract="0.74343323"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a39"
                           x3="11.53158"
                           xFract="0.99343372"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a40"
                           x3="12.81986"
                           xFract="0.99343285"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a41"
                           x3="6.25472"
                           xFract="0.57163743"
                           y3="0.59376"
                           yFract="0.06619221"
                           z3="5.69184"
                           zFract="0.24932821"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="8.82645"
                           xFract="0.81799849"
                           y3="0.63399"
                           yFract="0.07067704"
                           z3="5.85564"
                           zFract="0.24956337"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="7.5064"
                           xFract="0.56690083"
                           y3="2.85789"
                           yFract="0.31859683"
                           z3="5.84269"
                           zFract="0.24904764"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.09846"
                           xFract="0.81772376"
                           y3="2.85316"
                           yFract="0.31806953"
                           z3="6.00035"
                           zFract="0.24900973"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.39478"
                           xFract="0.64531909"
                           y3="1.25144"
                           yFract="0.1395102"
                           z3="7.88829"
                           zFract="0.34850187"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="9.97352"
                           xFract="0.8944935"
                           y3="1.25321"
                           yFract="0.13970752"
                           z3="8.04672"
                           zFract="0.34852784"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="8.68611"
                           xFract="0.64342401"
                           y3="3.53342"
                           yFract="0.39390473"
                           z3="8.02872"
                           zFract="0.34758578"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.26307"
                           xFract="0.89240359"
                           y3="3.5356"
                           yFract="0.39414776"
                           z3="8.1715"
                           zFract="0.34687831"/>
                     <atom elementType="Cu"
                           id="a49"
                           x3="10.35953"
                           xFract="0.66843401"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.90692"
                           zFract="0.05000395"/>
                     <atom elementType="Cu"
                           id="a50"
                           x3="11.64782"
                           xFract="0.66843411"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.0652"
                           zFract="0.05000409"/>
                     <atom elementType="Cu"
                           id="a51"
                           x3="12.9458"
                           xFract="0.91843459"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="2.0652"
                           zFract="0.05000408"/>
                     <atom elementType="Cu"
                           id="a52"
                           x3="14.23408"
                           xFract="0.91843372"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.22348"
                           zFract="0.05000424"/>
                     <atom elementType="Cu"
                           id="a53"
                           x3="11.52189"
                           xFract="0.74343333"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.1228"
                           zFract="0.15000418"/>
                     <atom elementType="Cu"
                           id="a54"
                           x3="12.81018"
                           xFract="0.74343343"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.28107"
                           zFract="0.15000385"/>
                     <atom elementType="Cu"
                           id="a55"
                           x3="14.10815"
                           xFract="0.99343294"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.28107"
                           zFract="0.15000386"/>
                     <atom elementType="Cu"
                           id="a56"
                           x3="15.39644"
                           xFract="0.99343304"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.43935"
                           zFract="0.150004"/>
                     <atom elementType="Cu"
                           id="a57"
                           x3="8.81729"
                           xFract="0.5692999"
                           y3="5.09659"
                           yFract="0.56816652"
                           z3="6.03641"
                           zFract="0.25066"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="11.39971"
                           xFract="0.81967799"
                           y3="5.08309"
                           yFract="0.56666154"
                           z3="6.18109"
                           zFract="0.25005254"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="10.09028"
                           xFract="0.56785823"
                           y3="7.33848"
                           yFract="0.81809182"
                           z3="6.16037"
                           zFract="0.24908723"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.67542"
                           xFract="0.81853257"
                           y3="7.32438"
                           yFract="0.81651996"
                           z3="6.30601"
                           zFract="0.24851819"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.97432"
                           xFract="0.64467083"
                           y3="5.75339"
                           yFract="0.64138641"
                           z3="8.20088"
                           zFract="0.34827832"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="12.58583"
                           xFract="0.89617774"
                           y3="5.7702"
                           yFract="0.64326038"
                           z3="8.38017"
                           zFract="0.34916815"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="11.26878"
                           xFract="0.64259296"
                           y3="8.04411"
                           yFract="0.89675527"
                           z3="8.36203"
                           zFract="0.34831554"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.85932"
                           xFract="0.89422299"
                           y3="8.0222"
                           yFract="0.89431275"
                           z3="8.4381"
                           zFract="0.34446377"/>
                     <atom elementType="Br"
                           id="a65"
                           x3="4.09014"
                           xFract="0.14409263"
                           y3="4.52501"
                           yFract="0.50444693"
                           z3="9.88471"
                           zFract="0.44670061"/>
                     <atom elementType="Br"
                           id="a66"
                           x3="7.22407"
                           xFract="0.30055309"
                           y3="7.1628"
                           yFract="0.79850706"
                           z3="10.12632"
                           zFract="0.44464403"/>
                     <atom elementType="Br"
                           id="a67"
                           x3="7.40079"
                           xFract="0.57150224"
                           y3="2.59119"
                           yFract="0.28886518"
                           z3="10.00248"
                           zFract="0.44593019"/>
                     <atom elementType="Br"
                           id="a68"
                           x3="11.23298"
                           xFract="0.97434316"
                           y3="2.00766"
                           yFract="0.22381341"
                           z3="10.17593"
                           zFract="0.44402502"/>
                     <atom elementType="Br"
                           id="a69"
                           x3="11.0996"
                           xFract="0.71075928"
                           y3="6.52208"
                           yFract="0.72707977"
                           z3="10.35708"
                           zFract="0.44541146"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a33" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a4 a33" order="S"/>
                     <bond atomRefs2="a4 a19" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a17" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a34" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a26" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a33" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a41" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a37" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a21" order="S"/>
                     <bond atomRefs2="a8 a26" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a34" order="S"/>
                     <bond atomRefs2="a8 a38" order="S"/>
                     <bond atomRefs2="a8 a37" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a23" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a25" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a26" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a29" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a16 a67" order="S"/>
                     <bond atomRefs2="a16 a43" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a26" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a30" order="S"/>
                     <bond atomRefs2="a16 a47" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a23" order="S"/>
                     <bond atomRefs2="a19 a34" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a27" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a26" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a23" order="S"/>
                     <bond atomRefs2="a22 a28" order="S"/>
                     <bond atomRefs2="a22 a24" order="S"/>
                     <bond atomRefs2="a22 a23" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a24" order="S"/>
                     <bond atomRefs2="a23 a59" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a57" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a30 a61" order="S"/>
                     <bond atomRefs2="a30 a47" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a66" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a61" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a33 a35" order="S"/>
                     <bond atomRefs2="a33 a34" order="S"/>
                     <bond atomRefs2="a33 a37" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a35" order="S"/>
                     <bond atomRefs2="a34 a38" order="S"/>
                     <bond atomRefs2="a34 a37" order="S"/>
                     <bond atomRefs2="a34 a36" order="S"/>
                     <bond atomRefs2="a35 a36" order="S"/>
                     <bond atomRefs2="a35 a39" order="S"/>
                     <bond atomRefs2="a35 a37" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a40" order="S"/>
                     <bond atomRefs2="a36 a39" order="S"/>
                     <bond atomRefs2="a36 a38" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a44" order="S"/>
                     <bond atomRefs2="a38 a40" order="S"/>
                     <bond atomRefs2="a38 a39" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a57" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a58" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a45 a67" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a46 a68" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a57" order="S"/>
                     <bond atomRefs2="a47 a61" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a47 a67" order="S"/>
                     <bond atomRefs2="a48 a68" order="S"/>
                     <bond atomRefs2="a48 a58" order="S"/>
                     <bond atomRefs2="a48 a62" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a61 a69" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a62 a69" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                     <bond atomRefs2="a63 a69" order="S"/>
                  </bondArray>
                  <formula concise="Br5Cu64">
                     <atomArray count="5 64" elementType="Br Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4466.463999999996</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.104">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">10.364410710831562</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">10.364412581405663</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.16843459"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.16843372"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.4184342"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.4184343"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.24343294"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.24343304"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.49343352"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.49343362"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.05783"
                           xFract="0.06866665"
                           y3="0.60485"
                           yFract="0.06742852"
                           z3="5.37198"
                           zFract="0.24922411"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="3.62582"
                           xFract="0.31694074"
                           y3="0.60412"
                           yFract="0.06734714"
                           z3="5.53311"
                           zFract="0.24941258"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="2.35879"
                           xFract="0.06943891"
                           y3="2.85556"
                           yFract="0.31833708"
                           z3="5.52769"
                           zFract="0.2490529"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.94404"
                           xFract="0.3186523"
                           y3="2.86796"
                           yFract="0.31971943"
                           z3="5.68071"
                           zFract="0.24878725"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.26472"
                           xFract="0.14816757"
                           y3="1.27407"
                           yFract="0.14203299"
                           z3="7.5619"
                           zFract="0.34787777"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="4.81613"
                           xFract="0.39500112"
                           y3="1.27042"
                           yFract="0.14162609"
                           z3="7.64397"
                           zFract="0.34439131"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="3.51787"
                           xFract="0.1458604"
                           y3="3.49701"
                           yFract="0.38984576"
                           z3="7.70345"
                           zFract="0.34722326"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.08912"
                           xFract="0.3937055"
                           y3="3.50968"
                           yFract="0.3912582"
                           z3="7.91954"
                           zFract="0.34997129"/>
                     <atom elementType="Cu"
                           id="a17"
                           x3="5.1870"
                           xFract="0.16843382"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a18"
                           x3="6.47529"
                           xFract="0.16843391"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a19"
                           x3="7.77327"
                           xFract="0.4184344"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a20"
                           x3="9.06156"
                           xFract="0.41843449"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="6.34936"
                           xFract="0.24343314"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="7.63765"
                           xFract="0.24343323"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="8.93563"
                           xFract="0.49343372"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="10.22391"
                           xFract="0.49343285"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="3.6194"
                           xFract="0.06642459"
                           y3="5.10422"
                           yFract="0.56901711"
                           z3="5.6958"
                           zFract="0.2495862"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.22777"
                           xFract="0.31956268"
                           y3="5.08619"
                           yFract="0.56700713"
                           z3="5.86984"
                           zFract="0.25029575"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.93736"
                           xFract="0.07084648"
                           y3="7.3188"
                           yFract="0.8158979"
                           z3="5.84922"
                           zFract="0.24931831"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.51408"
                           xFract="0.31906485"
                           y3="7.33427"
                           yFract="0.81762249"
                           z3="5.98933"
                           zFract="0.24846345"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.80222"
                           xFract="0.14228938"
                           y3="5.79702"
                           yFract="0.64625027"
                           z3="7.88194"
                           zFract="0.34809172"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="7.4019"
                           xFract="0.39544763"
                           y3="5.7635"
                           yFract="0.64251347"
                           z3="8.02995"
                           zFract="0.3476249"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.06667"
                           xFract="0.14166647"
                           y3="8.0093"
                           yFract="0.89287466"
                           z3="8.02737"
                           zFract="0.34760534"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.68938"
                           xFract="0.39411276"
                           y3="8.02869"
                           yFract="0.89503625"
                           z3="8.19437"
                           zFract="0.34787908"/>
                     <atom elementType="Cu"
                           id="a33"
                           x3="7.78295"
                           xFract="0.66843382"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a34"
                           x3="9.07124"
                           xFract="0.66843391"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a35"
                           x3="10.36922"
                           xFract="0.9184344"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a36"
                           x3="11.65751"
                           xFract="0.91843449"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a37"
                           x3="8.94531"
                           xFract="0.74343314"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a38"
                           x3="10.2336"
                           xFract="0.74343323"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a39"
                           x3="11.53158"
                           xFract="0.99343372"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a40"
                           x3="12.81986"
                           xFract="0.99343285"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a41"
                           x3="6.25496"
                           xFract="0.57163009"
                           y3="0.59431"
                           yFract="0.06625352"
                           z3="5.69152"
                           zFract="0.24931151"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="8.82657"
                           xFract="0.81798732"
                           y3="0.6344"
                           yFract="0.07072275"
                           z3="5.85566"
                           zFract="0.24956328"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="7.50631"
                           xFract="0.56685937"
                           y3="2.85848"
                           yFract="0.3186626"
                           z3="5.84282"
                           zFract="0.24905305"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.0988"
                           xFract="0.8177533"
                           y3="2.85322"
                           yFract="0.31807622"
                           z3="6.00023"
                           zFract="0.24900299"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.39506"
                           xFract="0.64530285"
                           y3="1.25222"
                           yFract="0.13959716"
                           z3="7.88814"
                           zFract="0.34849269"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="9.97452"
                           xFract="0.89456295"
                           y3="1.2537"
                           yFract="0.13976215"
                           z3="8.04672"
                           zFract="0.34852414"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="8.68571"
                           xFract="0.64334314"
                           y3="3.53418"
                           yFract="0.39398946"
                           z3="8.02846"
                           zFract="0.34757341"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.26317"
                           xFract="0.89236106"
                           y3="3.53654"
                           yFract="0.39425255"
                           z3="8.17169"
                           zFract="0.34688541"/>
                     <atom elementType="Cu"
                           id="a49"
                           x3="10.35953"
                           xFract="0.66843401"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.90692"
                           zFract="0.05000395"/>
                     <atom elementType="Cu"
                           id="a50"
                           x3="11.64782"
                           xFract="0.66843411"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.0652"
                           zFract="0.05000409"/>
                     <atom elementType="Cu"
                           id="a51"
                           x3="12.9458"
                           xFract="0.91843459"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="2.0652"
                           zFract="0.05000408"/>
                     <atom elementType="Cu"
                           id="a52"
                           x3="14.23408"
                           xFract="0.91843372"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.22348"
                           zFract="0.05000424"/>
                     <atom elementType="Cu"
                           id="a53"
                           x3="11.52189"
                           xFract="0.74343333"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.1228"
                           zFract="0.15000418"/>
                     <atom elementType="Cu"
                           id="a54"
                           x3="12.81018"
                           xFract="0.74343343"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.28107"
                           zFract="0.15000385"/>
                     <atom elementType="Cu"
                           id="a55"
                           x3="14.10815"
                           xFract="0.99343294"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.28107"
                           zFract="0.15000386"/>
                     <atom elementType="Cu"
                           id="a56"
                           x3="15.39644"
                           xFract="0.99343304"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.43935"
                           zFract="0.150004"/>
                     <atom elementType="Cu"
                           id="a57"
                           x3="8.81743"
                           xFract="0.56928178"
                           y3="5.09716"
                           yFract="0.56823006"
                           z3="6.03611"
                           zFract="0.2506445"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="11.39948"
                           xFract="0.81963632"
                           y3="5.08344"
                           yFract="0.56670056"
                           z3="6.1809"
                           zFract="0.25004366"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="10.08954"
                           xFract="0.56774838"
                           y3="7.33917"
                           yFract="0.81816874"
                           z3="6.16087"
                           zFract="0.24911179"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.67527"
                           xFract="0.81849253"
                           y3="7.32484"
                           yFract="0.81657124"
                           z3="6.30639"
                           zFract="0.24853577"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.97457"
                           xFract="0.64466389"
                           y3="5.75395"
                           yFract="0.64144884"
                           z3="8.20147"
                           zFract="0.34830448"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="12.58569"
                           xFract="0.89612145"
                           y3="5.77097"
                           yFract="0.64334622"
                           z3="8.38088"
                           zFract="0.34920074"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="11.26891"
                           xFract="0.6425922"
                           y3="8.04435"
                           yFract="0.89678203"
                           z3="8.36222"
                           zFract="0.34832372"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.8593"
                           xFract="0.89418218"
                           y3="8.0229"
                           yFract="0.89439079"
                           z3="8.43821"
                           zFract="0.34446784"/>
                     <atom elementType="Br"
                           id="a65"
                           x3="4.08784"
                           xFract="0.14373869"
                           y3="4.52738"
                           yFract="0.50471113"
                           z3="9.88461"
                           zFract="0.44669858"/>
                     <atom elementType="Br"
                           id="a66"
                           x3="7.22377"
                           xFract="0.30045023"
                           y3="7.16413"
                           yFract="0.79865533"
                           z3="10.12667"
                           zFract="0.44465918"/>
                     <atom elementType="Br"
                           id="a67"
                           x3="7.4009"
                           xFract="0.5716045"
                           y3="2.58954"
                           yFract="0.28868124"
                           z3="10.00367"
                           zFract="0.44598874"/>
                     <atom elementType="Br"
                           id="a68"
                           x3="11.23436"
                           xFract="0.97447934"
                           y3="2.00761"
                           yFract="0.22380784"
                           z3="10.17666"
                           zFract="0.44405554"/>
                     <atom elementType="Br"
                           id="a69"
                           x3="11.09951"
                           xFract="0.71068561"
                           y3="6.52325"
                           yFract="0.7272102"
                           z3="10.35786"
                           zFract="0.44544654"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a33" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a4 a33" order="S"/>
                     <bond atomRefs2="a4 a19" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a17" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a34" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a26" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a33" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a41" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a37" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a21" order="S"/>
                     <bond atomRefs2="a8 a26" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a34" order="S"/>
                     <bond atomRefs2="a8 a38" order="S"/>
                     <bond atomRefs2="a8 a37" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a23" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a25" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a26" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a29" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a16 a67" order="S"/>
                     <bond atomRefs2="a16 a43" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a26" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a30" order="S"/>
                     <bond atomRefs2="a16 a47" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a23" order="S"/>
                     <bond atomRefs2="a19 a34" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a27" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a26" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a23" order="S"/>
                     <bond atomRefs2="a22 a28" order="S"/>
                     <bond atomRefs2="a22 a24" order="S"/>
                     <bond atomRefs2="a22 a23" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a24" order="S"/>
                     <bond atomRefs2="a23 a59" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a57" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a30 a61" order="S"/>
                     <bond atomRefs2="a30 a47" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a66" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a61" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a33 a35" order="S"/>
                     <bond atomRefs2="a33 a34" order="S"/>
                     <bond atomRefs2="a33 a37" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a35" order="S"/>
                     <bond atomRefs2="a34 a38" order="S"/>
                     <bond atomRefs2="a34 a37" order="S"/>
                     <bond atomRefs2="a34 a36" order="S"/>
                     <bond atomRefs2="a35 a36" order="S"/>
                     <bond atomRefs2="a35 a39" order="S"/>
                     <bond atomRefs2="a35 a37" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a40" order="S"/>
                     <bond atomRefs2="a36 a39" order="S"/>
                     <bond atomRefs2="a36 a38" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a44" order="S"/>
                     <bond atomRefs2="a38 a40" order="S"/>
                     <bond atomRefs2="a38 a39" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a57" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a58" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a45 a67" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a46 a68" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a57" order="S"/>
                     <bond atomRefs2="a47 a61" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a47 a67" order="S"/>
                     <bond atomRefs2="a48 a68" order="S"/>
                     <bond atomRefs2="a48 a58" order="S"/>
                     <bond atomRefs2="a48 a62" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a61 a69" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a62 a69" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                     <bond atomRefs2="a63 a69" order="S"/>
                  </bondArray>
                  <formula concise="Br5Cu64">
                     <atomArray count="5 64" elementType="Br Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4466.463999999996</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.105">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">10.364410710831562</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">10.364412581405663</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.16843459"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.16843372"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.4184342"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.4184343"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.24343294"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.24343304"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.49343352"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.49343362"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.05786"
                           xFract="0.06867232"
                           y3="0.6048"
                           yFract="0.06742295"
                           z3="5.3719"
                           zFract="0.24922033"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="3.62592"
                           xFract="0.31695429"
                           y3="0.60405"
                           yFract="0.06733934"
                           z3="5.53305"
                           zFract="0.24940958"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="2.35875"
                           xFract="0.06944226"
                           y3="2.85543"
                           yFract="0.31832259"
                           z3="5.5277"
                           zFract="0.24905371"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.94407"
                           xFract="0.31865798"
                           y3="2.86791"
                           yFract="0.31971385"
                           z3="5.68069"
                           zFract="0.24878631"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.26476"
                           xFract="0.148172"
                           y3="1.27406"
                           yFract="0.14203187"
                           z3="7.56187"
                           zFract="0.34787626"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="4.81617"
                           xFract="0.39501276"
                           y3="1.27028"
                           yFract="0.14161048"
                           z3="7.64399"
                           zFract="0.34439237"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="3.5178"
                           xFract="0.14585919"
                           y3="3.49691"
                           yFract="0.38983461"
                           z3="7.70317"
                           zFract="0.34721043"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.08904"
                           xFract="0.39370221"
                           y3="3.5096"
                           yFract="0.39124929"
                           z3="7.9196"
                           zFract="0.34997448"/>
                     <atom elementType="Cu"
                           id="a17"
                           x3="5.1870"
                           xFract="0.16843382"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a18"
                           x3="6.47529"
                           xFract="0.16843391"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a19"
                           x3="7.77327"
                           xFract="0.4184344"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a20"
                           x3="9.06156"
                           xFract="0.41843449"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="6.34936"
                           xFract="0.24343314"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="7.63765"
                           xFract="0.24343323"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="8.93563"
                           xFract="0.49343372"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="10.22391"
                           xFract="0.49343285"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="3.61936"
                           xFract="0.06642294"
                           y3="5.10418"
                           yFract="0.56901265"
                           z3="5.69567"
                           zFract="0.24958026"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.22771"
                           xFract="0.31955633"
                           y3="5.0862"
                           yFract="0.56700824"
                           z3="5.86986"
                           zFract="0.25029685"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.93739"
                           xFract="0.07084994"
                           y3="7.31879"
                           yFract="0.81589679"
                           z3="5.84923"
                           zFract="0.24931871"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.5141"
                           xFract="0.319069"
                           y3="7.33423"
                           yFract="0.81761803"
                           z3="5.9894"
                           zFract="0.24846676"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.80215"
                           xFract="0.14228761"
                           y3="5.79693"
                           yFract="0.64624023"
                           z3="7.88193"
                           zFract="0.3480916"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="7.40192"
                           xFract="0.39545401"
                           y3="5.76342"
                           yFract="0.64250455"
                           z3="8.02999"
                           zFract="0.34762686"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.06672"
                           xFract="0.14167852"
                           y3="8.00917"
                           yFract="0.89286017"
                           z3="8.02737"
                           zFract="0.34760542"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.68936"
                           xFract="0.39411804"
                           y3="8.02856"
                           yFract="0.89502176"
                           z3="8.19439"
                           zFract="0.3478803"/>
                     <atom elementType="Cu"
                           id="a33"
                           x3="7.78295"
                           xFract="0.66843382"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a34"
                           x3="9.07124"
                           xFract="0.66843391"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a35"
                           x3="10.36922"
                           xFract="0.9184344"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a36"
                           x3="11.65751"
                           xFract="0.91843449"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a37"
                           x3="8.94531"
                           xFract="0.74343314"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a38"
                           x3="10.2336"
                           xFract="0.74343323"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a39"
                           x3="11.53158"
                           xFract="0.99343372"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a40"
                           x3="12.81986"
                           xFract="0.99343285"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a41"
                           x3="6.25492"
                           xFract="0.57163122"
                           y3="0.59422"
                           yFract="0.06624349"
                           z3="5.69157"
                           zFract="0.24931413"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="8.82655"
                           xFract="0.81798928"
                           y3="0.63433"
                           yFract="0.07071494"
                           z3="5.85566"
                           zFract="0.24956345"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="7.50632"
                           xFract="0.56686589"
                           y3="2.85838"
                           yFract="0.31865145"
                           z3="5.8428"
                           zFract="0.24905224"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.09875"
                           xFract="0.81774902"
                           y3="2.85321"
                           yFract="0.3180751"
                           z3="6.00025"
                           zFract="0.24900409"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.39502"
                           xFract="0.6453062"
                           y3="1.25209"
                           yFract="0.13958266"
                           z3="7.88817"
                           zFract="0.34849444"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="9.97436"
                           xFract="0.89455193"
                           y3="1.25362"
                           yFract="0.13975323"
                           z3="8.04672"
                           zFract="0.34852473"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="8.68578"
                           xFract="0.64335657"
                           y3="3.53406"
                           yFract="0.39397608"
                           z3="8.0285"
                           zFract="0.34757529"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.26316"
                           xFract="0.89236842"
                           y3="3.53639"
                           yFract="0.39423583"
                           z3="8.17166"
                           zFract="0.34688428"/>
                     <atom elementType="Cu"
                           id="a49"
                           x3="10.35953"
                           xFract="0.66843401"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.90692"
                           zFract="0.05000395"/>
                     <atom elementType="Cu"
                           id="a50"
                           x3="11.64782"
                           xFract="0.66843411"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.0652"
                           zFract="0.05000409"/>
                     <atom elementType="Cu"
                           id="a51"
                           x3="12.9458"
                           xFract="0.91843459"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="2.0652"
                           zFract="0.05000408"/>
                     <atom elementType="Cu"
                           id="a52"
                           x3="14.23408"
                           xFract="0.91843372"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.22348"
                           zFract="0.05000424"/>
                     <atom elementType="Cu"
                           id="a53"
                           x3="11.52189"
                           xFract="0.74343333"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.1228"
                           zFract="0.15000418"/>
                     <atom elementType="Cu"
                           id="a54"
                           x3="12.81018"
                           xFract="0.74343343"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.28107"
                           zFract="0.15000385"/>
                     <atom elementType="Cu"
                           id="a55"
                           x3="14.10815"
                           xFract="0.99343294"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.28107"
                           zFract="0.15000386"/>
                     <atom elementType="Cu"
                           id="a56"
                           x3="15.39644"
                           xFract="0.99343304"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.43935"
                           zFract="0.150004"/>
                     <atom elementType="Cu"
                           id="a57"
                           x3="8.8174"
                           xFract="0.56928388"
                           y3="5.09707"
                           yFract="0.56822003"
                           z3="6.03616"
                           zFract="0.25064709"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="11.39952"
                           xFract="0.81964352"
                           y3="5.08338"
                           yFract="0.56669387"
                           z3="6.18093"
                           zFract="0.25004506"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="10.08966"
                           xFract="0.56776609"
                           y3="7.33906"
                           yFract="0.81815648"
                           z3="6.16079"
                           zFract="0.24910785"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.6753"
                           xFract="0.81849931"
                           y3="7.32477"
                           yFract="0.81656344"
                           z3="6.30633"
                           zFract="0.24853297"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.97453"
                           xFract="0.64466503"
                           y3="5.75386"
                           yFract="0.6414388"
                           z3="8.20138"
                           zFract="0.3483005"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="12.58572"
                           xFract="0.89613157"
                           y3="5.77084"
                           yFract="0.64333173"
                           z3="8.38077"
                           zFract="0.34919569"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="11.26889"
                           xFract="0.64259249"
                           y3="8.04431"
                           yFract="0.89677757"
                           z3="8.36219"
                           zFract="0.34832243"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.8593"
                           xFract="0.89418829"
                           y3="8.02279"
                           yFract="0.89437852"
                           z3="8.43819"
                           zFract="0.34446708"/>
                     <atom elementType="Br"
                           id="a65"
                           x3="4.08821"
                           xFract="0.14379611"
                           y3="4.52699"
                           yFract="0.50466766"
                           z3="9.88463"
                           zFract="0.4466991"/>
                     <atom elementType="Br"
                           id="a66"
                           x3="7.22382"
                           xFract="0.30046673"
                           y3="7.16392"
                           yFract="0.79863192"
                           z3="10.12661"
                           zFract="0.44465656"/>
                     <atom elementType="Br"
                           id="a67"
                           x3="7.40088"
                           xFract="0.57158757"
                           y3="2.58981"
                           yFract="0.28871134"
                           z3="10.00348"
                           zFract="0.44597939"/>
                     <atom elementType="Br"
                           id="a68"
                           x3="11.23414"
                           xFract="0.97445752"
                           y3="2.00762"
                           yFract="0.22380895"
                           z3="10.17654"
                           zFract="0.4440505"/>
                     <atom elementType="Br"
                           id="a69"
                           x3="11.09952"
                           xFract="0.71069713"
                           y3="6.52306"
                           yFract="0.72718902"
                           z3="10.35773"
                           zFract="0.4454407"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a33" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a4 a33" order="S"/>
                     <bond atomRefs2="a4 a19" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a17" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a34" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a26" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a33" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a41" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a37" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a21" order="S"/>
                     <bond atomRefs2="a8 a26" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a34" order="S"/>
                     <bond atomRefs2="a8 a38" order="S"/>
                     <bond atomRefs2="a8 a37" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a23" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a25" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a26" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a29" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a16 a67" order="S"/>
                     <bond atomRefs2="a16 a43" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a26" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a30" order="S"/>
                     <bond atomRefs2="a16 a47" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a23" order="S"/>
                     <bond atomRefs2="a19 a34" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a27" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a26" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a23" order="S"/>
                     <bond atomRefs2="a22 a28" order="S"/>
                     <bond atomRefs2="a22 a24" order="S"/>
                     <bond atomRefs2="a22 a23" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a24" order="S"/>
                     <bond atomRefs2="a23 a59" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a57" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a30 a61" order="S"/>
                     <bond atomRefs2="a30 a47" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a66" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a61" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a33 a35" order="S"/>
                     <bond atomRefs2="a33 a34" order="S"/>
                     <bond atomRefs2="a33 a37" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a35" order="S"/>
                     <bond atomRefs2="a34 a38" order="S"/>
                     <bond atomRefs2="a34 a37" order="S"/>
                     <bond atomRefs2="a34 a36" order="S"/>
                     <bond atomRefs2="a35 a36" order="S"/>
                     <bond atomRefs2="a35 a39" order="S"/>
                     <bond atomRefs2="a35 a37" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a40" order="S"/>
                     <bond atomRefs2="a36 a39" order="S"/>
                     <bond atomRefs2="a36 a38" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a44" order="S"/>
                     <bond atomRefs2="a38 a40" order="S"/>
                     <bond atomRefs2="a38 a39" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a57" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a58" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a45 a67" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a46 a68" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a57" order="S"/>
                     <bond atomRefs2="a47 a61" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a47 a67" order="S"/>
                     <bond atomRefs2="a48 a68" order="S"/>
                     <bond atomRefs2="a48 a58" order="S"/>
                     <bond atomRefs2="a48 a62" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a61 a69" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a62 a69" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                     <bond atomRefs2="a63 a69" order="S"/>
                  </bondArray>
                  <formula concise="Br5Cu64">
                     <atomArray count="5 64" elementType="Br Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4466.463999999996</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.106">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">10.364410710831562</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">10.364412581405663</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.16843459"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.16843372"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.4184342"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.4184343"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.24343294"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.24343304"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.49343352"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.49343362"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.05792"
                           xFract="0.06867868"
                           y3="0.60479"
                           yFract="0.06742183"
                           z3="5.37196"
                           zFract="0.24922301"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="3.62565"
                           xFract="0.3169182"
                           y3="0.60423"
                           yFract="0.0673594"
                           z3="5.53318"
                           zFract="0.24941618"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="2.3589"
                           xFract="0.06943344"
                           y3="2.85585"
                           yFract="0.31836941"
                           z3="5.52814"
                           zFract="0.24907332"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.94378"
                           xFract="0.31862995"
                           y3="2.86791"
                           yFract="0.31971385"
                           z3="5.68083"
                           zFract="0.24879375"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.26491"
                           xFract="0.14817206"
                           y3="1.27432"
                           yFract="0.14206086"
                           z3="7.56213"
                           zFract="0.34788765"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="4.81625"
                           xFract="0.39498329"
                           y3="1.27095"
                           yFract="0.14168517"
                           z3="7.64422"
                           zFract="0.34440187"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="3.51793"
                           xFract="0.1458562"
                           y3="3.49719"
                           yFract="0.38986582"
                           z3="7.70332"
                           zFract="0.34721666"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.08965"
                           xFract="0.39373841"
                           y3="3.51001"
                           yFract="0.39129499"
                           z3="7.91975"
                           zFract="0.34997911"/>
                     <atom elementType="Cu"
                           id="a17"
                           x3="5.1870"
                           xFract="0.16843382"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a18"
                           x3="6.47529"
                           xFract="0.16843391"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a19"
                           x3="7.77327"
                           xFract="0.4184344"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a20"
                           x3="9.06156"
                           xFract="0.41843449"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="6.34936"
                           xFract="0.24343314"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="7.63765"
                           xFract="0.24343323"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="8.93563"
                           xFract="0.49343372"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="10.22391"
                           xFract="0.49343285"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="3.61981"
                           xFract="0.06644256"
                           y3="5.10461"
                           yFract="0.56906058"
                           z3="5.69595"
                           zFract="0.24959144"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.22762"
                           xFract="0.31954874"
                           y3="5.08618"
                           yFract="0.56700601"
                           z3="5.86964"
                           zFract="0.25028677"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.93738"
                           xFract="0.07084342"
                           y3="7.31889"
                           yFract="0.81590794"
                           z3="5.84899"
                           zFract="0.24930726"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.5139"
                           xFract="0.3190319"
                           y3="7.33455"
                           yFract="0.81765371"
                           z3="5.98967"
                           zFract="0.24847953"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.80231"
                           xFract="0.14227808"
                           y3="5.79738"
                           yFract="0.6462904"
                           z3="7.8818"
                           zFract="0.34808425"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="7.40205"
                           xFract="0.39544325"
                           y3="5.76384"
                           yFract="0.64255137"
                           z3="8.02996"
                           zFract="0.34762437"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.06699"
                           xFract="0.14167686"
                           y3="8.00967"
                           yFract="0.89291591"
                           z3="8.02742"
                           zFract="0.34760616"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.68915"
                           xFract="0.39408497"
                           y3="8.02879"
                           yFract="0.8950474"
                           z3="8.19462"
                           zFract="0.34789137"/>
                     <atom elementType="Cu"
                           id="a33"
                           x3="7.78295"
                           xFract="0.66843382"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a34"
                           x3="9.07124"
                           xFract="0.66843391"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a35"
                           x3="10.36922"
                           xFract="0.9184344"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a36"
                           x3="11.65751"
                           xFract="0.91843449"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a37"
                           x3="8.94531"
                           xFract="0.74343314"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a38"
                           x3="10.2336"
                           xFract="0.74343323"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a39"
                           x3="11.53158"
                           xFract="0.99343372"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a40"
                           x3="12.81986"
                           xFract="0.99343285"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a41"
                           x3="6.25479"
                           xFract="0.57158811"
                           y3="0.59477"
                           yFract="0.0663048"
                           z3="5.69199"
                           zFract="0.24933339"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="8.82652"
                           xFract="0.81796694"
                           y3="0.63468"
                           yFract="0.07075396"
                           z3="5.85592"
                           zFract="0.24957521"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="7.50671"
                           xFract="0.56688582"
                           y3="2.8587"
                           yFract="0.31868713"
                           z3="5.84272"
                           zFract="0.24904681"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.09887"
                           xFract="0.81774951"
                           y3="2.85341"
                           yFract="0.3180974"
                           z3="6.00044"
                           zFract="0.24901237"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.39522"
                           xFract="0.64530832"
                           y3="1.2524"
                           yFract="0.13961722"
                           z3="7.88816"
                           zFract="0.34849287"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="9.9747"
                           xFract="0.89455092"
                           y3="1.25423"
                           yFract="0.13982123"
                           z3="8.0467"
                           zFract="0.34852179"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="8.68551"
                           xFract="0.64329827"
                           y3="3.53464"
                           yFract="0.39404074"
                           z3="8.02874"
                           zFract="0.34758642"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.26319"
                           xFract="0.8923541"
                           y3="3.5367"
                           yFract="0.39427039"
                           z3="8.17214"
                           zFract="0.34690631"/>
                     <atom elementType="Cu"
                           id="a49"
                           x3="10.35953"
                           xFract="0.66843401"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.90692"
                           zFract="0.05000395"/>
                     <atom elementType="Cu"
                           id="a50"
                           x3="11.64782"
                           xFract="0.66843411"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.0652"
                           zFract="0.05000409"/>
                     <atom elementType="Cu"
                           id="a51"
                           x3="12.9458"
                           xFract="0.91843459"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="2.0652"
                           zFract="0.05000408"/>
                     <atom elementType="Cu"
                           id="a52"
                           x3="14.23408"
                           xFract="0.91843372"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.22348"
                           zFract="0.05000424"/>
                     <atom elementType="Cu"
                           id="a53"
                           x3="11.52189"
                           xFract="0.74343333"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.1228"
                           zFract="0.15000418"/>
                     <atom elementType="Cu"
                           id="a54"
                           x3="12.81018"
                           xFract="0.74343343"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.28107"
                           zFract="0.15000385"/>
                     <atom elementType="Cu"
                           id="a55"
                           x3="14.10815"
                           xFract="0.99343294"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.28107"
                           zFract="0.15000386"/>
                     <atom elementType="Cu"
                           id="a56"
                           x3="15.39644"
                           xFract="0.99343304"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.43935"
                           zFract="0.150004"/>
                     <atom elementType="Cu"
                           id="a57"
                           x3="8.81774"
                           xFract="0.56929231"
                           y3="5.09751"
                           yFract="0.56826908"
                           z3="6.03644"
                           zFract="0.25065858"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="11.39923"
                           xFract="0.8195966"
                           y3="5.08372"
                           yFract="0.56673177"
                           z3="6.18131"
                           zFract="0.25006325"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="10.08948"
                           xFract="0.5677126"
                           y3="7.33971"
                           yFract="0.81822894"
                           z3="6.1610"
                           zFract="0.24911719"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.67504"
                           xFract="0.8184603"
                           y3="7.32502"
                           yFract="0.81659131"
                           z3="6.30668"
                           zFract="0.24854981"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.97458"
                           xFract="0.64466597"
                           y3="5.75393"
                           yFract="0.64144661"
                           z3="8.20208"
                           zFract="0.34833324"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="12.58546"
                           xFract="0.89606034"
                           y3="5.77167"
                           yFract="0.64342426"
                           z3="8.38145"
                           zFract="0.34922711"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="11.26899"
                           xFract="0.64259549"
                           y3="8.04443"
                           yFract="0.89679094"
                           z3="8.36269"
                           zFract="0.34834552"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.85913"
                           xFract="0.89413243"
                           y3="8.0235"
                           yFract="0.89445767"
                           z3="8.4381"
                           zFract="0.34446214"/>
                     <atom elementType="Br"
                           id="a65"
                           x3="4.08633"
                           xFract="0.14362716"
                           y3="4.52676"
                           yFract="0.50464202"
                           z3="9.8830"
                           zFract="0.44662806"/>
                     <atom elementType="Br"
                           id="a66"
                           x3="7.22346"
                           xFract="0.30038417"
                           y3="7.16478"
                           yFract="0.79872779"
                           z3="10.12605"
                           zFract="0.44462976"/>
                     <atom elementType="Br"
                           id="a67"
                           x3="7.4009"
                           xFract="0.57156007"
                           y3="2.59034"
                           yFract="0.28877042"
                           z3="10.0034"
                           zFract="0.44597467"/>
                     <atom elementType="Br"
                           id="a68"
                           x3="11.23524"
                           xFract="0.97458939"
                           y3="2.00716"
                           yFract="0.22375767"
                           z3="10.17702"
                           zFract="0.44407073"/>
                     <atom elementType="Br"
                           id="a69"
                           x3="11.09899"
                           xFract="0.71063145"
                           y3="6.52332"
                           yFract="0.727218"
                           z3="10.35729"
                           zFract="0.44542105"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a33" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a4 a33" order="S"/>
                     <bond atomRefs2="a4 a19" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a17" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a34" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a26" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a33" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a41" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a37" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a21" order="S"/>
                     <bond atomRefs2="a8 a26" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a34" order="S"/>
                     <bond atomRefs2="a8 a38" order="S"/>
                     <bond atomRefs2="a8 a37" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a23" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a25" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a26" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a29" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a16 a67" order="S"/>
                     <bond atomRefs2="a16 a43" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a26" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a30" order="S"/>
                     <bond atomRefs2="a16 a47" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a23" order="S"/>
                     <bond atomRefs2="a19 a34" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a27" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a26" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a23" order="S"/>
                     <bond atomRefs2="a22 a28" order="S"/>
                     <bond atomRefs2="a22 a24" order="S"/>
                     <bond atomRefs2="a22 a23" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a24" order="S"/>
                     <bond atomRefs2="a23 a59" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a57" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a30 a61" order="S"/>
                     <bond atomRefs2="a30 a47" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a66" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a61" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a33 a35" order="S"/>
                     <bond atomRefs2="a33 a34" order="S"/>
                     <bond atomRefs2="a33 a37" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a35" order="S"/>
                     <bond atomRefs2="a34 a38" order="S"/>
                     <bond atomRefs2="a34 a37" order="S"/>
                     <bond atomRefs2="a34 a36" order="S"/>
                     <bond atomRefs2="a35 a36" order="S"/>
                     <bond atomRefs2="a35 a39" order="S"/>
                     <bond atomRefs2="a35 a37" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a40" order="S"/>
                     <bond atomRefs2="a36 a39" order="S"/>
                     <bond atomRefs2="a36 a38" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a44" order="S"/>
                     <bond atomRefs2="a38 a40" order="S"/>
                     <bond atomRefs2="a38 a39" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a57" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a58" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a45 a67" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a46 a68" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a57" order="S"/>
                     <bond atomRefs2="a47 a61" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a47 a67" order="S"/>
                     <bond atomRefs2="a48 a68" order="S"/>
                     <bond atomRefs2="a48 a58" order="S"/>
                     <bond atomRefs2="a48 a62" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a61 a69" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a62 a69" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                     <bond atomRefs2="a63 a69" order="S"/>
                  </bondArray>
                  <formula concise="Br5Cu64">
                     <atomArray count="5 64" elementType="Br Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4466.463999999996</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.107">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">10.364410710831562</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">10.364412581405663</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.16843459"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.16843372"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.4184342"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.4184343"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.24343294"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.24343304"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.49343352"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.49343362"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.05792"
                           xFract="0.06867868"
                           y3="0.60479"
                           yFract="0.06742183"
                           z3="5.37196"
                           zFract="0.24922301"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="3.62566"
                           xFract="0.31691972"
                           y3="0.60422"
                           yFract="0.06735829"
                           z3="5.53318"
                           zFract="0.24941617"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="2.3589"
                           xFract="0.06943399"
                           y3="2.85584"
                           yFract="0.31836829"
                           z3="5.52813"
                           zFract="0.24907286"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.94379"
                           xFract="0.31863091"
                           y3="2.86791"
                           yFract="0.31971385"
                           z3="5.68082"
                           zFract="0.24879324"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.2649"
                           xFract="0.14817165"
                           y3="1.27431"
                           yFract="0.14205974"
                           z3="7.56213"
                           zFract="0.3478877"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="4.81625"
                           xFract="0.3949844"
                           y3="1.27093"
                           yFract="0.14168294"
                           z3="7.64422"
                           zFract="0.3444019"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="3.51793"
                           xFract="0.14585676"
                           y3="3.49718"
                           yFract="0.38986471"
                           z3="7.70332"
                           zFract="0.34721668"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.08963"
                           xFract="0.39373703"
                           y3="3.5100"
                           yFract="0.39129388"
                           z3="7.91975"
                           zFract="0.34997918"/>
                     <atom elementType="Cu"
                           id="a17"
                           x3="5.1870"
                           xFract="0.16843382"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a18"
                           x3="6.47529"
                           xFract="0.16843391"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a19"
                           x3="7.77327"
                           xFract="0.4184344"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a20"
                           x3="9.06156"
                           xFract="0.41843449"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="6.34936"
                           xFract="0.24343314"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="7.63765"
                           xFract="0.24343323"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="8.93563"
                           xFract="0.49343372"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="10.22391"
                           xFract="0.49343285"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="3.6198"
                           xFract="0.06644215"
                           y3="5.1046"
                           yFract="0.56905947"
                           z3="5.69594"
                           zFract="0.24959102"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.22763"
                           xFract="0.3195497"
                           y3="5.08618"
                           yFract="0.56700601"
                           z3="5.86964"
                           zFract="0.25028674"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.93738"
                           xFract="0.07084342"
                           y3="7.31889"
                           yFract="0.81590794"
                           z3="5.84899"
                           zFract="0.24930726"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.51391"
                           xFract="0.31903342"
                           y3="7.33454"
                           yFract="0.81765259"
                           z3="5.98966"
                           zFract="0.24847905"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.80231"
                           xFract="0.14227864"
                           y3="5.79737"
                           yFract="0.64628929"
                           z3="7.88181"
                           zFract="0.34808474"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="7.40205"
                           xFract="0.39544436"
                           y3="5.76382"
                           yFract="0.64254914"
                           z3="8.02997"
                           zFract="0.34762488"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.06698"
                           xFract="0.141677"
                           y3="8.00965"
                           yFract="0.89291368"
                           z3="8.02742"
                           zFract="0.34760622"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.68916"
                           xFract="0.39408649"
                           y3="8.02878"
                           yFract="0.89504629"
                           z3="8.19461"
                           zFract="0.34789088"/>
                     <atom elementType="Cu"
                           id="a33"
                           x3="7.78295"
                           xFract="0.66843382"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a34"
                           x3="9.07124"
                           xFract="0.66843391"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a35"
                           x3="10.36922"
                           xFract="0.9184344"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a36"
                           x3="11.65751"
                           xFract="0.91843449"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a37"
                           x3="8.94531"
                           xFract="0.74343314"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a38"
                           x3="10.2336"
                           xFract="0.74343323"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a39"
                           x3="11.53158"
                           xFract="0.99343372"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a40"
                           x3="12.81986"
                           xFract="0.99343285"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a41"
                           x3="6.25479"
                           xFract="0.57158922"
                           y3="0.59475"
                           yFract="0.06630257"
                           z3="5.69198"
                           zFract="0.24933296"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="8.82652"
                           xFract="0.8179675"
                           y3="0.63467"
                           yFract="0.07075284"
                           z3="5.85591"
                           zFract="0.24957476"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="7.50669"
                           xFract="0.56688444"
                           y3="2.85869"
                           yFract="0.31868601"
                           z3="5.84272"
                           zFract="0.24904688"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.09886"
                           xFract="0.81774854"
                           y3="2.85341"
                           yFract="0.3180974"
                           z3="6.00044"
                           zFract="0.2490124"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.39521"
                           xFract="0.6453079"
                           y3="1.25239"
                           yFract="0.13961611"
                           z3="7.88816"
                           zFract="0.34849292"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="9.97469"
                           xFract="0.89455107"
                           y3="1.25421"
                           yFract="0.139819"
                           z3="8.0467"
                           zFract="0.34852185"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="8.68552"
                           xFract="0.64330034"
                           y3="3.53462"
                           yFract="0.39403851"
                           z3="8.02873"
                           zFract="0.34758595"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.26319"
                           xFract="0.89235466"
                           y3="3.53669"
                           yFract="0.39426927"
                           z3="8.17213"
                           zFract="0.34690585"/>
                     <atom elementType="Cu"
                           id="a49"
                           x3="10.35953"
                           xFract="0.66843401"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.90692"
                           zFract="0.05000395"/>
                     <atom elementType="Cu"
                           id="a50"
                           x3="11.64782"
                           xFract="0.66843411"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.0652"
                           zFract="0.05000409"/>
                     <atom elementType="Cu"
                           id="a51"
                           x3="12.9458"
                           xFract="0.91843459"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="2.0652"
                           zFract="0.05000408"/>
                     <atom elementType="Cu"
                           id="a52"
                           x3="14.23408"
                           xFract="0.91843372"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.22348"
                           zFract="0.05000424"/>
                     <atom elementType="Cu"
                           id="a53"
                           x3="11.52189"
                           xFract="0.74343333"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.1228"
                           zFract="0.15000418"/>
                     <atom elementType="Cu"
                           id="a54"
                           x3="12.81018"
                           xFract="0.74343343"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.28107"
                           zFract="0.15000385"/>
                     <atom elementType="Cu"
                           id="a55"
                           x3="14.10815"
                           xFract="0.99343294"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.28107"
                           zFract="0.15000386"/>
                     <atom elementType="Cu"
                           id="a56"
                           x3="15.39644"
                           xFract="0.99343304"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.43935"
                           zFract="0.150004"/>
                     <atom elementType="Cu"
                           id="a57"
                           x3="8.81773"
                           xFract="0.5692919"
                           y3="5.0975"
                           yFract="0.56826796"
                           z3="6.03643"
                           zFract="0.25065815"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="11.39924"
                           xFract="0.81959813"
                           y3="5.08371"
                           yFract="0.56673066"
                           z3="6.1813"
                           zFract="0.25006276"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="10.08949"
                           xFract="0.56771467"
                           y3="7.33969"
                           yFract="0.81822671"
                           z3="6.1610"
                           zFract="0.24911719"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.67505"
                           xFract="0.81846126"
                           y3="7.32502"
                           yFract="0.81659131"
                           z3="6.30667"
                           zFract="0.24854931"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.97457"
                           xFract="0.644665"
                           y3="5.75393"
                           yFract="0.64144661"
                           z3="8.20206"
                           zFract="0.34833233"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="12.58547"
                           xFract="0.89606242"
                           y3="5.77165"
                           yFract="0.64342203"
                           z3="8.38143"
                           zFract="0.34922618"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="11.26899"
                           xFract="0.64259605"
                           y3="8.04442"
                           yFract="0.89678983"
                           z3="8.36268"
                           zFract="0.34834506"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.85913"
                           xFract="0.8941341"
                           y3="8.02347"
                           yFract="0.89445433"
                           z3="8.4381"
                           zFract="0.34446219"/>
                     <atom elementType="Br"
                           id="a65"
                           x3="4.08638"
                           xFract="0.14363199"
                           y3="4.52676"
                           yFract="0.50464202"
                           z3="9.88305"
                           zFract="0.44663027"/>
                     <atom elementType="Br"
                           id="a66"
                           x3="7.22347"
                           xFract="0.3003868"
                           y3="7.16475"
                           yFract="0.79872445"
                           z3="10.12607"
                           zFract="0.44463072"/>
                     <atom elementType="Br"
                           id="a67"
                           x3="7.4009"
                           xFract="0.57156118"
                           y3="2.59032"
                           yFract="0.28876819"
                           z3="10.0034"
                           zFract="0.44597471"/>
                     <atom elementType="Br"
                           id="a68"
                           x3="11.23521"
                           xFract="0.97458538"
                           y3="2.00718"
                           yFract="0.2237599"
                           z3="10.17701"
                           zFract="0.44407031"/>
                     <atom elementType="Br"
                           id="a69"
                           x3="11.09901"
                           xFract="0.71063394"
                           y3="6.52331"
                           yFract="0.72721689"
                           z3="10.3573"
                           zFract="0.44542148"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a33" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a4 a33" order="S"/>
                     <bond atomRefs2="a4 a19" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a17" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a34" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a26" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a33" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a41" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a37" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a21" order="S"/>
                     <bond atomRefs2="a8 a26" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a34" order="S"/>
                     <bond atomRefs2="a8 a38" order="S"/>
                     <bond atomRefs2="a8 a37" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a23" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a25" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a26" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a29" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a16 a67" order="S"/>
                     <bond atomRefs2="a16 a43" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a26" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a30" order="S"/>
                     <bond atomRefs2="a16 a47" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a23" order="S"/>
                     <bond atomRefs2="a19 a34" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a27" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a26" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a23" order="S"/>
                     <bond atomRefs2="a22 a28" order="S"/>
                     <bond atomRefs2="a22 a24" order="S"/>
                     <bond atomRefs2="a22 a23" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a24" order="S"/>
                     <bond atomRefs2="a23 a59" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a57" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a30 a61" order="S"/>
                     <bond atomRefs2="a30 a47" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a66" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a61" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a33 a35" order="S"/>
                     <bond atomRefs2="a33 a34" order="S"/>
                     <bond atomRefs2="a33 a37" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a35" order="S"/>
                     <bond atomRefs2="a34 a38" order="S"/>
                     <bond atomRefs2="a34 a37" order="S"/>
                     <bond atomRefs2="a34 a36" order="S"/>
                     <bond atomRefs2="a35 a36" order="S"/>
                     <bond atomRefs2="a35 a39" order="S"/>
                     <bond atomRefs2="a35 a37" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a40" order="S"/>
                     <bond atomRefs2="a36 a39" order="S"/>
                     <bond atomRefs2="a36 a38" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a44" order="S"/>
                     <bond atomRefs2="a38 a40" order="S"/>
                     <bond atomRefs2="a38 a39" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a57" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a58" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a45 a67" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a46 a68" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a57" order="S"/>
                     <bond atomRefs2="a47 a61" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a47 a67" order="S"/>
                     <bond atomRefs2="a48 a68" order="S"/>
                     <bond atomRefs2="a48 a58" order="S"/>
                     <bond atomRefs2="a48 a62" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a61 a69" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a62 a69" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                     <bond atomRefs2="a63 a69" order="S"/>
                  </bondArray>
                  <formula concise="Br5Cu64">
                     <atomArray count="5 64" elementType="Br Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4466.463999999996</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.108">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">10.364410710831562</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">10.364412581405663</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.16843459"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.16843372"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.4184342"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.4184343"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.24343294"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.24343304"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.49343352"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.49343362"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.05798"
                           xFract="0.06868115"
                           y3="0.60485"
                           yFract="0.06742852"
                           z3="5.37184"
                           zFract="0.24921708"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="3.62562"
                           xFract="0.31691141"
                           y3="0.6043"
                           yFract="0.06736721"
                           z3="5.53328"
                           zFract="0.24942087"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="2.35883"
                           xFract="0.06940668"
                           y3="2.85621"
                           yFract="0.31840954"
                           z3="5.52856"
                           zFract="0.24909272"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.94363"
                           xFract="0.31861434"
                           y3="2.86793"
                           yFract="0.31971608"
                           z3="5.68091"
                           zFract="0.24879792"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.2652"
                           xFract="0.14817843"
                           y3="1.27471"
                           yFract="0.14210434"
                           z3="7.56227"
                           zFract="0.34789276"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="4.8165"
                           xFract="0.39498857"
                           y3="1.27129"
                           yFract="0.14172308"
                           z3="7.6446"
                           zFract="0.3444185"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="3.51782"
                           xFract="0.14584168"
                           y3="3.49726"
                           yFract="0.38987363"
                           z3="7.70244"
                           zFract="0.34717537"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.09011"
                           xFract="0.39375511"
                           y3="3.51051"
                           yFract="0.39135073"
                           z3="7.91974"
                           zFract="0.34997647"/>
                     <atom elementType="Cu"
                           id="a17"
                           x3="5.1870"
                           xFract="0.16843382"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a18"
                           x3="6.47529"
                           xFract="0.16843391"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a19"
                           x3="7.77327"
                           xFract="0.4184344"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a20"
                           x3="9.06156"
                           xFract="0.41843449"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="6.34936"
                           xFract="0.24343314"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="7.63765"
                           xFract="0.24343323"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="8.93563"
                           xFract="0.49343372"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="10.22391"
                           xFract="0.49343285"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="3.61983"
                           xFract="0.0664184"
                           y3="5.10508"
                           yFract="0.56911298"
                           z3="5.69604"
                           zFract="0.24959484"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.22763"
                           xFract="0.31954693"
                           y3="5.08623"
                           yFract="0.56701158"
                           z3="5.86946"
                           zFract="0.25027817"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.93736"
                           xFract="0.07082594"
                           y3="7.31917"
                           yFract="0.81593915"
                           z3="5.84881"
                           zFract="0.24929836"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.51371"
                           xFract="0.31900132"
                           y3="7.33477"
                           yFract="0.81767823"
                           z3="5.98994"
                           zFract="0.24849244"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.80251"
                           xFract="0.14226021"
                           y3="5.79805"
                           yFract="0.64636509"
                           z3="7.88145"
                           zFract="0.34806606"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="7.40214"
                           xFract="0.39543584"
                           y3="5.76413"
                           yFract="0.6425837"
                           z3="8.02985"
                           zFract="0.34761844"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.06708"
                           xFract="0.14166168"
                           y3="8.0101"
                           yFract="0.89296384"
                           z3="8.02728"
                           zFract="0.34759858"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.68909"
                           xFract="0.39406918"
                           y3="8.02897"
                           yFract="0.89506747"
                           z3="8.19481"
                           zFract="0.3479002"/>
                     <atom elementType="Cu"
                           id="a33"
                           x3="7.78295"
                           xFract="0.66843382"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a34"
                           x3="9.07124"
                           xFract="0.66843391"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a35"
                           x3="10.36922"
                           xFract="0.9184344"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a36"
                           x3="11.65751"
                           xFract="0.91843449"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a37"
                           x3="8.94531"
                           xFract="0.74343314"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a38"
                           x3="10.2336"
                           xFract="0.74343323"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a39"
                           x3="11.53158"
                           xFract="0.99343372"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a40"
                           x3="12.81986"
                           xFract="0.99343285"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a41"
                           x3="6.25457"
                           xFract="0.57154463"
                           y3="0.59517"
                           yFract="0.0663494"
                           z3="5.69249"
                           zFract="0.24935694"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="8.82643"
                           xFract="0.81794103"
                           y3="0.63499"
                           yFract="0.07078852"
                           z3="5.85598"
                           zFract="0.24957779"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="7.50701"
                           xFract="0.56690316"
                           y3="2.85891"
                           yFract="0.31871054"
                           z3="5.84247"
                           zFract="0.24903381"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.09899"
                           xFract="0.81774334"
                           y3="2.85373"
                           yFract="0.31813307"
                           z3="6.00072"
                           zFract="0.24902469"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.39536"
                           xFract="0.64530797"
                           y3="1.25265"
                           yFract="0.13964509"
                           z3="7.88822"
                           zFract="0.34849488"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="9.97474"
                           xFract="0.89451703"
                           y3="1.25491"
                           yFract="0.13989704"
                           z3="8.04671"
                           zFract="0.34852101"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="8.68563"
                           xFract="0.64327988"
                           y3="3.53518"
                           yFract="0.39410094"
                           z3="8.02902"
                           zFract="0.34759837"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.26316"
                           xFract="0.89234121"
                           y3="3.53688"
                           yFract="0.39429045"
                           z3="8.17265"
                           zFract="0.34693014"/>
                     <atom elementType="Cu"
                           id="a49"
                           x3="10.35953"
                           xFract="0.66843401"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.90692"
                           zFract="0.05000395"/>
                     <atom elementType="Cu"
                           id="a50"
                           x3="11.64782"
                           xFract="0.66843411"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.0652"
                           zFract="0.05000409"/>
                     <atom elementType="Cu"
                           id="a51"
                           x3="12.9458"
                           xFract="0.91843459"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="2.0652"
                           zFract="0.05000408"/>
                     <atom elementType="Cu"
                           id="a52"
                           x3="14.23408"
                           xFract="0.91843372"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.22348"
                           zFract="0.05000424"/>
                     <atom elementType="Cu"
                           id="a53"
                           x3="11.52189"
                           xFract="0.74343333"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.1228"
                           zFract="0.15000418"/>
                     <atom elementType="Cu"
                           id="a54"
                           x3="12.81018"
                           xFract="0.74343343"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.28107"
                           zFract="0.15000385"/>
                     <atom elementType="Cu"
                           id="a55"
                           x3="14.10815"
                           xFract="0.99343294"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.28107"
                           zFract="0.15000386"/>
                     <atom elementType="Cu"
                           id="a56"
                           x3="15.39644"
                           xFract="0.99343304"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.43935"
                           zFract="0.150004"/>
                     <atom elementType="Cu"
                           id="a57"
                           x3="8.81802"
                           xFract="0.56929327"
                           y3="5.09798"
                           yFract="0.56832147"
                           z3="6.03681"
                           zFract="0.25067443"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="11.39937"
                           xFract="0.81958793"
                           y3="5.08412"
                           yFract="0.56677636"
                           z3="6.18181"
                           zFract="0.25008575"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="10.08959"
                           xFract="0.56769602"
                           y3="7.3402"
                           yFract="0.81828357"
                           z3="6.16114"
                           zFract="0.24912265"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.67474"
                           xFract="0.81842019"
                           y3="7.32522"
                           yFract="0.8166136"
                           z3="6.30688"
                           zFract="0.24855977"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.97437"
                           xFract="0.64464512"
                           y3="5.75394"
                           yFract="0.64144772"
                           z3="8.20232"
                           zFract="0.34834515"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="12.58544"
                           xFract="0.89602398"
                           y3="5.77229"
                           yFract="0.64349337"
                           z3="8.38179"
                           zFract="0.34924217"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="11.2689"
                           xFract="0.64255514"
                           y3="8.0450"
                           yFract="0.89685449"
                           z3="8.36297"
                           zFract="0.34835803"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.85925"
                           xFract="0.89410905"
                           y3="8.02413"
                           yFract="0.89452791"
                           z3="8.43793"
                           zFract="0.34445273"/>
                     <atom elementType="Br"
                           id="a65"
                           x3="4.08542"
                           xFract="0.14351143"
                           y3="4.52726"
                           yFract="0.50469776"
                           z3="9.88314"
                           zFract="0.44663645"/>
                     <atom elementType="Br"
                           id="a66"
                           x3="7.22277"
                           xFract="0.30025861"
                           y3="7.16584"
                           yFract="0.79884596"
                           z3="10.12531"
                           zFract="0.44459509"/>
                     <atom elementType="Br"
                           id="a67"
                           x3="7.40131"
                           xFract="0.57158471"
                           y3="2.59061"
                           yFract="0.28880052"
                           z3="10.00409"
                           zFract="0.44600557"/>
                     <atom elementType="Br"
                           id="a68"
                           x3="11.23626"
                           xFract="0.97468799"
                           y3="2.00716"
                           yFract="0.22375767"
                           z3="10.17763"
                           zFract="0.44409654"/>
                     <atom elementType="Br"
                           id="a69"
                           x3="11.09821"
                           xFract="0.71056328"
                           y3="6.52319"
                           yFract="0.72720351"
                           z3="10.35694"
                           zFract="0.44540701"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a33" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a4 a33" order="S"/>
                     <bond atomRefs2="a4 a19" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a17" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a34" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a26" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a33" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a41" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a37" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a21" order="S"/>
                     <bond atomRefs2="a8 a26" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a34" order="S"/>
                     <bond atomRefs2="a8 a38" order="S"/>
                     <bond atomRefs2="a8 a37" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a23" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a25" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a26" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a29" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a16 a67" order="S"/>
                     <bond atomRefs2="a16 a43" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a26" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a30" order="S"/>
                     <bond atomRefs2="a16 a47" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a23" order="S"/>
                     <bond atomRefs2="a19 a34" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a27" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a26" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a23" order="S"/>
                     <bond atomRefs2="a22 a28" order="S"/>
                     <bond atomRefs2="a22 a24" order="S"/>
                     <bond atomRefs2="a22 a23" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a24" order="S"/>
                     <bond atomRefs2="a23 a59" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a57" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a30 a61" order="S"/>
                     <bond atomRefs2="a30 a47" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a66" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a61" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a33 a35" order="S"/>
                     <bond atomRefs2="a33 a34" order="S"/>
                     <bond atomRefs2="a33 a37" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a35" order="S"/>
                     <bond atomRefs2="a34 a38" order="S"/>
                     <bond atomRefs2="a34 a37" order="S"/>
                     <bond atomRefs2="a34 a36" order="S"/>
                     <bond atomRefs2="a35 a36" order="S"/>
                     <bond atomRefs2="a35 a39" order="S"/>
                     <bond atomRefs2="a35 a37" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a40" order="S"/>
                     <bond atomRefs2="a36 a39" order="S"/>
                     <bond atomRefs2="a36 a38" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a44" order="S"/>
                     <bond atomRefs2="a38 a40" order="S"/>
                     <bond atomRefs2="a38 a39" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a57" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a58" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a45 a67" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a46 a68" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a57" order="S"/>
                     <bond atomRefs2="a47 a61" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a47 a67" order="S"/>
                     <bond atomRefs2="a48 a68" order="S"/>
                     <bond atomRefs2="a48 a58" order="S"/>
                     <bond atomRefs2="a48 a62" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a61 a69" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a62 a69" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                     <bond atomRefs2="a63 a69" order="S"/>
                  </bondArray>
                  <formula concise="Br5Cu64">
                     <atomArray count="5 64" elementType="Br Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4466.463999999996</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.109">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">10.364410710831562</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">10.364412581405663</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.16843459"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.16843372"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.4184342"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.4184343"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.24343294"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.24343304"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.49343352"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.49343362"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.0580"
                           xFract="0.06868142"
                           y3="0.60488"
                           yFract="0.06743186"
                           z3="5.37179"
                           zFract="0.24921461"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="3.6256"
                           xFract="0.31690781"
                           y3="0.60433"
                           yFract="0.06737055"
                           z3="5.53333"
                           zFract="0.24942323"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="2.3588"
                           xFract="0.06939489"
                           y3="2.85637"
                           yFract="0.31842738"
                           z3="5.52875"
                           zFract="0.2491015"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.94357"
                           xFract="0.31860798"
                           y3="2.86794"
                           yFract="0.3197172"
                           z3="5.68095"
                           zFract="0.24879996"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.26532"
                           xFract="0.14818115"
                           y3="1.27487"
                           yFract="0.14212217"
                           z3="7.56233"
                           zFract="0.34789498"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="4.8166"
                           xFract="0.39498991"
                           y3="1.27144"
                           yFract="0.1417398"
                           z3="7.64476"
                           zFract="0.3444255"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="3.51778"
                           xFract="0.1458356"
                           y3="3.4973"
                           yFract="0.38987809"
                           z3="7.70207"
                           zFract="0.34715797"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.09031"
                           xFract="0.39376278"
                           y3="3.51072"
                           yFract="0.39137414"
                           z3="7.91973"
                           zFract="0.34997507"/>
                     <atom elementType="Cu"
                           id="a17"
                           x3="5.1870"
                           xFract="0.16843382"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a18"
                           x3="6.47529"
                           xFract="0.16843391"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a19"
                           x3="7.77327"
                           xFract="0.4184344"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a20"
                           x3="9.06156"
                           xFract="0.41843449"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="6.34936"
                           xFract="0.24343314"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="7.63765"
                           xFract="0.24343323"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="8.93563"
                           xFract="0.49343372"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="10.22391"
                           xFract="0.49343285"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="3.61984"
                           xFract="0.06640826"
                           y3="5.10528"
                           yFract="0.56913527"
                           z3="5.69608"
                           zFract="0.24959637"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.22764"
                           xFract="0.31954678"
                           y3="5.08625"
                           yFract="0.56701381"
                           z3="5.86939"
                           zFract="0.25027481"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.93734"
                           xFract="0.07081789"
                           y3="7.31928"
                           yFract="0.81595141"
                           z3="5.84874"
                           zFract="0.24929494"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.51363"
                           xFract="0.31898803"
                           y3="7.33487"
                           yFract="0.81768938"
                           z3="5.99006"
                           zFract="0.24849816"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.8026"
                           xFract="0.14225281"
                           y3="5.79834"
                           yFract="0.64639742"
                           z3="7.8813"
                           zFract="0.34805824"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="7.40218"
                           xFract="0.39543249"
                           y3="5.76426"
                           yFract="0.64259819"
                           z3="8.0298"
                           zFract="0.34761575"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.06711"
                           xFract="0.14165403"
                           y3="8.01029"
                           yFract="0.89298503"
                           z3="8.02722"
                           zFract="0.34759535"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.68906"
                           xFract="0.39406184"
                           y3="8.02905"
                           yFract="0.89507639"
                           z3="8.19489"
                           zFract="0.34790392"/>
                     <atom elementType="Cu"
                           id="a33"
                           x3="7.78295"
                           xFract="0.66843382"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a34"
                           x3="9.07124"
                           xFract="0.66843391"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a35"
                           x3="10.36922"
                           xFract="0.9184344"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a36"
                           x3="11.65751"
                           xFract="0.91843449"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a37"
                           x3="8.94531"
                           xFract="0.74343314"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a38"
                           x3="10.2336"
                           xFract="0.74343323"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a39"
                           x3="11.53158"
                           xFract="0.99343372"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a40"
                           x3="12.81986"
                           xFract="0.99343285"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a41"
                           x3="6.25447"
                           xFract="0.57152552"
                           y3="0.59534"
                           yFract="0.06636835"
                           z3="5.6927"
                           zFract="0.24936684"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="8.82639"
                           xFract="0.81792994"
                           y3="0.63512"
                           yFract="0.07080301"
                           z3="5.85602"
                           zFract="0.24957957"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="7.50714"
                           xFract="0.56691072"
                           y3="2.8590"
                           yFract="0.31872057"
                           z3="5.84237"
                           zFract="0.24902856"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.09904"
                           xFract="0.8177404"
                           y3="2.85387"
                           yFract="0.31814868"
                           z3="6.00084"
                           zFract="0.24902997"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.39542"
                           xFract="0.64530766"
                           y3="1.25276"
                           yFract="0.13965736"
                           z3="7.88824"
                           zFract="0.34849546"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="9.97477"
                           xFract="0.89450382"
                           y3="1.2552"
                           yFract="0.13992937"
                           z3="8.04671"
                           zFract="0.34852044"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="8.68567"
                           xFract="0.64327097"
                           y3="3.53541"
                           yFract="0.39412658"
                           z3="8.02914"
                           zFract="0.34760353"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.26314"
                           xFract="0.89233483"
                           y3="3.53696"
                           yFract="0.39429937"
                           z3="8.17286"
                           zFract="0.34693996"/>
                     <atom elementType="Cu"
                           id="a49"
                           x3="10.35953"
                           xFract="0.66843401"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.90692"
                           zFract="0.05000395"/>
                     <atom elementType="Cu"
                           id="a50"
                           x3="11.64782"
                           xFract="0.66843411"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.0652"
                           zFract="0.05000409"/>
                     <atom elementType="Cu"
                           id="a51"
                           x3="12.9458"
                           xFract="0.91843459"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="2.0652"
                           zFract="0.05000408"/>
                     <atom elementType="Cu"
                           id="a52"
                           x3="14.23408"
                           xFract="0.91843372"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.22348"
                           zFract="0.05000424"/>
                     <atom elementType="Cu"
                           id="a53"
                           x3="11.52189"
                           xFract="0.74343333"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.1228"
                           zFract="0.15000418"/>
                     <atom elementType="Cu"
                           id="a54"
                           x3="12.81018"
                           xFract="0.74343343"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.28107"
                           zFract="0.15000385"/>
                     <atom elementType="Cu"
                           id="a55"
                           x3="14.10815"
                           xFract="0.99343294"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.28107"
                           zFract="0.15000386"/>
                     <atom elementType="Cu"
                           id="a56"
                           x3="15.39644"
                           xFract="0.99343304"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.43935"
                           zFract="0.150004"/>
                     <atom elementType="Cu"
                           id="a57"
                           x3="8.81814"
                           xFract="0.56929321"
                           y3="5.09819"
                           yFract="0.56834488"
                           z3="6.03698"
                           zFract="0.25068175"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="11.39942"
                           xFract="0.81958332"
                           y3="5.08429"
                           yFract="0.56679531"
                           z3="6.18202"
                           zFract="0.25009522"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="10.08964"
                           xFract="0.56768864"
                           y3="7.34042"
                           yFract="0.81830809"
                           z3="6.1612"
                           zFract="0.24912497"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.67462"
                           xFract="0.81840359"
                           y3="7.32531"
                           yFract="0.81662364"
                           z3="6.30697"
                           zFract="0.24856421"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.97428"
                           xFract="0.64463586"
                           y3="5.75395"
                           yFract="0.64144884"
                           z3="8.20243"
                           zFract="0.34835058"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="12.58543"
                           xFract="0.89600858"
                           y3="5.77255"
                           yFract="0.64352236"
                           z3="8.38194"
                           zFract="0.34924883"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="11.26887"
                           xFract="0.64253891"
                           y3="8.04524"
                           yFract="0.89688124"
                           z3="8.3631"
                           zFract="0.34836384"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.85931"
                           xFract="0.8940993"
                           y3="8.02441"
                           yFract="0.89455912"
                           z3="8.43786"
                           zFract="0.34444879"/>
                     <atom elementType="Br"
                           id="a65"
                           x3="4.08501"
                           xFract="0.14346069"
                           y3="4.52746"
                           yFract="0.50472005"
                           z3="9.88317"
                           zFract="0.44663871"/>
                     <atom elementType="Br"
                           id="a66"
                           x3="7.22248"
                           xFract="0.30020559"
                           y3="7.16629"
                           yFract="0.79889613"
                           z3="10.1250"
                           zFract="0.44458056"/>
                     <atom elementType="Br"
                           id="a67"
                           x3="7.40149"
                           xFract="0.57159545"
                           y3="2.59073"
                           yFract="0.2888139"
                           z3="10.00439"
                           zFract="0.446019"/>
                     <atom elementType="Br"
                           id="a68"
                           x3="11.2367"
                           xFract="0.97473108"
                           y3="2.00715"
                           yFract="0.22375656"
                           z3="10.17789"
                           zFract="0.44410755"/>
                     <atom elementType="Br"
                           id="a69"
                           x3="11.09788"
                           xFract="0.71053471"
                           y3="6.52313"
                           yFract="0.72719682"
                           z3="10.35679"
                           zFract="0.44540099"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a33" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a4 a33" order="S"/>
                     <bond atomRefs2="a4 a19" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a17" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a34" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a26" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a33" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a41" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a37" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a21" order="S"/>
                     <bond atomRefs2="a8 a26" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a34" order="S"/>
                     <bond atomRefs2="a8 a38" order="S"/>
                     <bond atomRefs2="a8 a37" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a23" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a25" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a26" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a29" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a16 a67" order="S"/>
                     <bond atomRefs2="a16 a43" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a26" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a30" order="S"/>
                     <bond atomRefs2="a16 a47" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a23" order="S"/>
                     <bond atomRefs2="a19 a34" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a27" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a26" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a23" order="S"/>
                     <bond atomRefs2="a22 a28" order="S"/>
                     <bond atomRefs2="a22 a24" order="S"/>
                     <bond atomRefs2="a22 a23" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a24" order="S"/>
                     <bond atomRefs2="a23 a59" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a57" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a30 a61" order="S"/>
                     <bond atomRefs2="a30 a47" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a66" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a61" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a33 a35" order="S"/>
                     <bond atomRefs2="a33 a34" order="S"/>
                     <bond atomRefs2="a33 a37" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a35" order="S"/>
                     <bond atomRefs2="a34 a38" order="S"/>
                     <bond atomRefs2="a34 a37" order="S"/>
                     <bond atomRefs2="a34 a36" order="S"/>
                     <bond atomRefs2="a35 a36" order="S"/>
                     <bond atomRefs2="a35 a39" order="S"/>
                     <bond atomRefs2="a35 a37" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a40" order="S"/>
                     <bond atomRefs2="a36 a39" order="S"/>
                     <bond atomRefs2="a36 a38" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a44" order="S"/>
                     <bond atomRefs2="a38 a40" order="S"/>
                     <bond atomRefs2="a38 a39" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a57" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a58" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a45 a67" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a46 a68" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a57" order="S"/>
                     <bond atomRefs2="a47 a61" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a47 a67" order="S"/>
                     <bond atomRefs2="a48 a68" order="S"/>
                     <bond atomRefs2="a48 a58" order="S"/>
                     <bond atomRefs2="a48 a62" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a61 a69" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a62 a69" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                     <bond atomRefs2="a63 a69" order="S"/>
                  </bondArray>
                  <formula concise="Br5Cu64">
                     <atomArray count="5 64" elementType="Br Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4466.463999999996</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.110">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">10.364410710831562</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">10.364412581405663</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.16843459"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.16843372"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.4184342"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.4184343"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.24343294"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.24343304"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.49343352"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.49343362"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.05802"
                           xFract="0.06867835"
                           y3="0.60497"
                           yFract="0.0674419"
                           z3="5.37175"
                           zFract="0.24921252"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="3.62563"
                           xFract="0.31690738"
                           y3="0.60439"
                           yFract="0.06737724"
                           z3="5.5334"
                           zFract="0.24942635"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="2.35867"
                           xFract="0.06937511"
                           y3="2.8565"
                           yFract="0.31844187"
                           z3="5.52884"
                           zFract="0.2491059"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.94359"
                           xFract="0.31860658"
                           y3="2.8680"
                           yFract="0.31972389"
                           z3="5.68095"
                           zFract="0.2487998"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.26545"
                           xFract="0.14818094"
                           y3="1.2751"
                           yFract="0.14214781"
                           z3="7.56239"
                           zFract="0.34789705"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="4.81675"
                           xFract="0.39499663"
                           y3="1.27158"
                           yFract="0.1417554"
                           z3="7.64497"
                           zFract="0.34443474"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="3.5178"
                           xFract="0.14582642"
                           y3="3.4975"
                           yFract="0.38990038"
                           z3="7.70173"
                           zFract="0.34714155"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.09052"
                           xFract="0.39376808"
                           y3="3.51099"
                           yFract="0.39140424"
                           z3="7.91972"
                           zFract="0.34997355"/>
                     <atom elementType="Cu"
                           id="a17"
                           x3="5.1870"
                           xFract="0.16843382"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a18"
                           x3="6.47529"
                           xFract="0.16843391"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a19"
                           x3="7.77327"
                           xFract="0.4184344"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a20"
                           x3="9.06156"
                           xFract="0.41843449"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="6.34936"
                           xFract="0.24343314"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="7.63765"
                           xFract="0.24343323"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="8.93563"
                           xFract="0.49343372"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="10.22391"
                           xFract="0.49343285"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="3.61979"
                           xFract="0.0663901"
                           y3="5.10552"
                           yFract="0.56916203"
                           z3="5.69606"
                           zFract="0.24959517"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.22767"
                           xFract="0.31954691"
                           y3="5.0863"
                           yFract="0.56701939"
                           z3="5.86934"
                           zFract="0.25027228"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.93733"
                           xFract="0.07080471"
                           y3="7.3195"
                           yFract="0.81597594"
                           z3="5.84864"
                           zFract="0.24928988"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.5136"
                           xFract="0.31897902"
                           y3="7.33498"
                           yFract="0.81770164"
                           z3="5.99012"
                           zFract="0.2485009"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.80267"
                           xFract="0.14224236"
                           y3="5.79865"
                           yFract="0.64643198"
                           z3="7.88118"
                           zFract="0.34805186"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="7.40217"
                           xFract="0.3954232"
                           y3="5.76441"
                           yFract="0.64261491"
                           z3="8.02972"
                           zFract="0.34761176"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.06706"
                           xFract="0.14163198"
                           y3="8.0106"
                           yFract="0.89301958"
                           z3="8.02704"
                           zFract="0.34758649"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.68913"
                           xFract="0.39405972"
                           y3="8.02921"
                           yFract="0.89509422"
                           z3="8.19495"
                           zFract="0.34790628"/>
                     <atom elementType="Cu"
                           id="a33"
                           x3="7.78295"
                           xFract="0.66843382"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a34"
                           x3="9.07124"
                           xFract="0.66843391"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a35"
                           x3="10.36922"
                           xFract="0.9184344"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a36"
                           x3="11.65751"
                           xFract="0.91843449"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a37"
                           x3="8.94531"
                           xFract="0.74343314"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a38"
                           x3="10.2336"
                           xFract="0.74343323"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a39"
                           x3="11.53158"
                           xFract="0.99343372"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a40"
                           x3="12.81986"
                           xFract="0.99343285"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a41"
                           x3="6.2544"
                           xFract="0.57150765"
                           y3="0.59554"
                           yFract="0.06639064"
                           z3="5.69287"
                           zFract="0.24937473"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="8.82637"
                           xFract="0.81791746"
                           y3="0.63531"
                           yFract="0.07082419"
                           z3="5.85598"
                           zFract="0.24957742"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="7.50726"
                           xFract="0.56691566"
                           y3="2.85912"
                           yFract="0.31873395"
                           z3="5.8423"
                           zFract="0.24902472"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.09914"
                           xFract="0.81773729"
                           y3="2.8541"
                           yFract="0.31817432"
                           z3="6.00099"
                           zFract="0.24903637"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.39552"
                           xFract="0.64530233"
                           y3="1.25303"
                           yFract="0.13968746"
                           z3="7.88837"
                           zFract="0.34850085"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="9.97483"
                           xFract="0.89449074"
                           y3="1.25554"
                           yFract="0.13996727"
                           z3="8.04677"
                           zFract="0.34852253"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="8.68575"
                           xFract="0.64326649"
                           y3="3.53563"
                           yFract="0.3941511"
                           z3="8.02933"
                           zFract="0.34761189"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.26315"
                           xFract="0.89233136"
                           y3="3.53704"
                           yFract="0.39430829"
                           z3="8.17317"
                           zFract="0.34695442"/>
                     <atom elementType="Cu"
                           id="a49"
                           x3="10.35953"
                           xFract="0.66843401"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.90692"
                           zFract="0.05000395"/>
                     <atom elementType="Cu"
                           id="a50"
                           x3="11.64782"
                           xFract="0.66843411"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.0652"
                           zFract="0.05000409"/>
                     <atom elementType="Cu"
                           id="a51"
                           x3="12.9458"
                           xFract="0.91843459"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="2.0652"
                           zFract="0.05000408"/>
                     <atom elementType="Cu"
                           id="a52"
                           x3="14.23408"
                           xFract="0.91843372"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.22348"
                           zFract="0.05000424"/>
                     <atom elementType="Cu"
                           id="a53"
                           x3="11.52189"
                           xFract="0.74343333"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.1228"
                           zFract="0.15000418"/>
                     <atom elementType="Cu"
                           id="a54"
                           x3="12.81018"
                           xFract="0.74343343"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.28107"
                           zFract="0.15000385"/>
                     <atom elementType="Cu"
                           id="a55"
                           x3="14.10815"
                           xFract="0.99343294"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.28107"
                           zFract="0.15000386"/>
                     <atom elementType="Cu"
                           id="a56"
                           x3="15.39644"
                           xFract="0.99343304"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.43935"
                           zFract="0.150004"/>
                     <atom elementType="Cu"
                           id="a57"
                           x3="8.81826"
                           xFract="0.56929148"
                           y3="5.09843"
                           yFract="0.56837164"
                           z3="6.03709"
                           zFract="0.25068619"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="11.39953"
                           xFract="0.81958118"
                           y3="5.08452"
                           yFract="0.56682095"
                           z3="6.18226"
                           zFract="0.25010584"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="10.08968"
                           xFract="0.56768362"
                           y3="7.34058"
                           yFract="0.81832593"
                           z3="6.1613"
                           zFract="0.2491293"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.6745"
                           xFract="0.81838311"
                           y3="7.32547"
                           yFract="0.81664147"
                           z3="6.30704"
                           zFract="0.24856759"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.97417"
                           xFract="0.64462134"
                           y3="5.75402"
                           yFract="0.64145664"
                           z3="8.20248"
                           zFract="0.34835314"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="12.58555"
                           xFract="0.89600407"
                           y3="5.77284"
                           yFract="0.64355469"
                           z3="8.3821"
                           zFract="0.34925555"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="11.26881"
                           xFract="0.64251534"
                           y3="8.04556"
                           yFract="0.89691692"
                           z3="8.36319"
                           zFract="0.34836772"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.85944"
                           xFract="0.89409354"
                           y3="8.02474"
                           yFract="0.89459591"
                           z3="8.43779"
                           zFract="0.34444456"/>
                     <atom elementType="Br"
                           id="a65"
                           x3="4.08454"
                           xFract="0.14339526"
                           y3="4.52782"
                           yFract="0.50476018"
                           z3="9.88326"
                           zFract="0.44664371"/>
                     <atom elementType="Br"
                           id="a66"
                           x3="7.22198"
                           xFract="0.30011505"
                           y3="7.16705"
                           yFract="0.79898085"
                           z3="10.12468"
                           zFract="0.44456564"/>
                     <atom elementType="Br"
                           id="a67"
                           x3="7.40138"
                           xFract="0.57158704"
                           y3="2.59069"
                           yFract="0.28880944"
                           z3="10.00422"
                           zFract="0.44601137"/>
                     <atom elementType="Br"
                           id="a68"
                           x3="11.23724"
                           xFract="0.9747855"
                           y3="2.00711"
                           yFract="0.2237521"
                           z3="10.17832"
                           zFract="0.44412633"/>
                     <atom elementType="Br"
                           id="a69"
                           x3="11.0973"
                           xFract="0.71048808"
                           y3="6.52296"
                           yFract="0.72717787"
                           z3="10.35683"
                           zFract="0.44540484"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a33" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a4 a33" order="S"/>
                     <bond atomRefs2="a4 a19" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a17" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a34" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a26" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a33" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a41" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a37" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a21" order="S"/>
                     <bond atomRefs2="a8 a26" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a34" order="S"/>
                     <bond atomRefs2="a8 a38" order="S"/>
                     <bond atomRefs2="a8 a37" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a23" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a25" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a26" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a29" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a16 a67" order="S"/>
                     <bond atomRefs2="a16 a43" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a26" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a30" order="S"/>
                     <bond atomRefs2="a16 a47" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a23" order="S"/>
                     <bond atomRefs2="a19 a34" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a27" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a26" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a23" order="S"/>
                     <bond atomRefs2="a22 a28" order="S"/>
                     <bond atomRefs2="a22 a24" order="S"/>
                     <bond atomRefs2="a22 a23" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a24" order="S"/>
                     <bond atomRefs2="a23 a59" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a57" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a30 a61" order="S"/>
                     <bond atomRefs2="a30 a47" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a66" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a61" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a33 a35" order="S"/>
                     <bond atomRefs2="a33 a34" order="S"/>
                     <bond atomRefs2="a33 a37" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a35" order="S"/>
                     <bond atomRefs2="a34 a38" order="S"/>
                     <bond atomRefs2="a34 a37" order="S"/>
                     <bond atomRefs2="a34 a36" order="S"/>
                     <bond atomRefs2="a35 a36" order="S"/>
                     <bond atomRefs2="a35 a39" order="S"/>
                     <bond atomRefs2="a35 a37" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a40" order="S"/>
                     <bond atomRefs2="a36 a39" order="S"/>
                     <bond atomRefs2="a36 a38" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a44" order="S"/>
                     <bond atomRefs2="a38 a40" order="S"/>
                     <bond atomRefs2="a38 a39" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a57" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a58" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a45 a67" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a46 a68" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a57" order="S"/>
                     <bond atomRefs2="a47 a61" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a47 a67" order="S"/>
                     <bond atomRefs2="a48 a68" order="S"/>
                     <bond atomRefs2="a48 a58" order="S"/>
                     <bond atomRefs2="a48 a62" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a61 a69" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a62 a69" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                     <bond atomRefs2="a63 a69" order="S"/>
                  </bondArray>
                  <formula concise="Br5Cu64">
                     <atomArray count="5 64" elementType="Br Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4466.463999999996</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.111">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">10.364410710831562</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">10.364412581405663</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.16843459"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.16843372"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.4184342"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.4184343"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.24343294"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.24343304"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.49343352"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.49343362"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.05806"
                           xFract="0.06867222"
                           y3="0.60515"
                           yFract="0.06746196"
                           z3="5.37168"
                           zFract="0.2492088"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="3.62568"
                           xFract="0.3169061"
                           y3="0.6045"
                           yFract="0.0673895"
                           z3="5.53354"
                           zFract="0.24943262"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="2.35842"
                           xFract="0.0693365"
                           y3="2.85676"
                           yFract="0.31847085"
                           z3="5.52901"
                           zFract="0.2491142"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.94363"
                           xFract="0.31860434"
                           y3="2.86811"
                           yFract="0.31973615"
                           z3="5.68095"
                           zFract="0.2487995"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.26571"
                           xFract="0.14818164"
                           y3="1.27554"
                           yFract="0.14219686"
                           z3="7.56251"
                           zFract="0.34790122"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="4.81703"
                           xFract="0.39500871"
                           y3="1.27185"
                           yFract="0.1417855"
                           z3="7.64538"
                           zFract="0.34445281"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="3.51785"
                           xFract="0.14581015"
                           y3="3.49788"
                           yFract="0.38994274"
                           z3="7.70107"
                           zFract="0.34710965"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.09091"
                           xFract="0.39377691"
                           y3="3.51151"
                           yFract="0.39146221"
                           z3="7.91968"
                           zFract="0.34996967"/>
                     <atom elementType="Cu"
                           id="a17"
                           x3="5.1870"
                           xFract="0.16843382"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a18"
                           x3="6.47529"
                           xFract="0.16843391"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a19"
                           x3="7.77327"
                           xFract="0.4184344"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a20"
                           x3="9.06156"
                           xFract="0.41843449"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="6.34936"
                           xFract="0.24343314"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="7.63765"
                           xFract="0.24343323"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="8.93563"
                           xFract="0.49343372"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="10.22391"
                           xFract="0.49343285"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="3.61968"
                           xFract="0.06635336"
                           y3="5.10599"
                           yFract="0.56921442"
                           z3="5.69603"
                           zFract="0.24959329"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.22774"
                           xFract="0.31954867"
                           y3="5.08639"
                           yFract="0.56702942"
                           z3="5.86924"
                           zFract="0.25026721"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.93729"
                           xFract="0.07077752"
                           y3="7.31992"
                           yFract="0.81602276"
                           z3="5.84846"
                           zFract="0.24928081"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.51353"
                           xFract="0.31896004"
                           y3="7.3352"
                           yFract="0.81772617"
                           z3="5.99023"
                           zFract="0.24850592"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.80281"
                           xFract="0.14222202"
                           y3="5.79926"
                           yFract="0.64649998"
                           z3="7.88095"
                           zFract="0.3480396"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="7.40217"
                           xFract="0.39540654"
                           y3="5.76471"
                           yFract="0.64264836"
                           z3="8.02958"
                           zFract="0.34760466"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.06695"
                           xFract="0.14158858"
                           y3="8.01119"
                           yFract="0.89308536"
                           z3="8.02671"
                           zFract="0.34757026"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.68925"
                           xFract="0.3940541"
                           y3="8.02952"
                           yFract="0.89512878"
                           z3="8.19508"
                           zFract="0.34791155"/>
                     <atom elementType="Cu"
                           id="a33"
                           x3="7.78295"
                           xFract="0.66843382"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a34"
                           x3="9.07124"
                           xFract="0.66843391"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a35"
                           x3="10.36922"
                           xFract="0.9184344"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a36"
                           x3="11.65751"
                           xFract="0.91843449"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a37"
                           x3="8.94531"
                           xFract="0.74343314"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a38"
                           x3="10.2336"
                           xFract="0.74343323"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a39"
                           x3="11.53158"
                           xFract="0.99343372"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a40"
                           x3="12.81986"
                           xFract="0.99343285"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a41"
                           x3="6.25426"
                           xFract="0.57147302"
                           y3="0.59592"
                           yFract="0.06643301"
                           z3="5.69319"
                           zFract="0.24938958"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="8.82633"
                           xFract="0.81789304"
                           y3="0.63568"
                           yFract="0.07086544"
                           z3="5.85591"
                           zFract="0.24957362"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="7.5075"
                           xFract="0.56692553"
                           y3="2.85936"
                           yFract="0.3187607"
                           z3="5.84215"
                           zFract="0.24901655"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.09932"
                           xFract="0.81773082"
                           y3="2.85453"
                           yFract="0.31822225"
                           z3="6.00127"
                           zFract="0.24904833"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.39571"
                           xFract="0.64529182"
                           y3="1.25355"
                           yFract="0.13974542"
                           z3="7.88862"
                           zFract="0.34851123"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="9.97494"
                           xFract="0.89446417"
                           y3="1.25621"
                           yFract="0.14004196"
                           z3="8.04688"
                           zFract="0.34852628"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="8.68591"
                           xFract="0.64325808"
                           y3="3.53606"
                           yFract="0.39419904"
                           z3="8.0297"
                           zFract="0.34762816"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.26317"
                           xFract="0.89232441"
                           y3="3.5372"
                           yFract="0.39432613"
                           z3="8.17377"
                           zFract="0.34698238"/>
                     <atom elementType="Cu"
                           id="a49"
                           x3="10.35953"
                           xFract="0.66843401"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.90692"
                           zFract="0.05000395"/>
                     <atom elementType="Cu"
                           id="a50"
                           x3="11.64782"
                           xFract="0.66843411"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.0652"
                           zFract="0.05000409"/>
                     <atom elementType="Cu"
                           id="a51"
                           x3="12.9458"
                           xFract="0.91843459"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="2.0652"
                           zFract="0.05000408"/>
                     <atom elementType="Cu"
                           id="a52"
                           x3="14.23408"
                           xFract="0.91843372"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.22348"
                           zFract="0.05000424"/>
                     <atom elementType="Cu"
                           id="a53"
                           x3="11.52189"
                           xFract="0.74343333"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.1228"
                           zFract="0.15000418"/>
                     <atom elementType="Cu"
                           id="a54"
                           x3="12.81018"
                           xFract="0.74343343"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.28107"
                           zFract="0.15000385"/>
                     <atom elementType="Cu"
                           id="a55"
                           x3="14.10815"
                           xFract="0.99343294"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.28107"
                           zFract="0.15000386"/>
                     <atom elementType="Cu"
                           id="a56"
                           x3="15.39644"
                           xFract="0.99343304"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.43935"
                           zFract="0.150004"/>
                     <atom elementType="Cu"
                           id="a57"
                           x3="8.81851"
                           xFract="0.56929011"
                           y3="5.09889"
                           yFract="0.56842292"
                           z3="6.0373"
                           zFract="0.2506946"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="11.39973"
                           xFract="0.81957663"
                           y3="5.08495"
                           yFract="0.56686889"
                           z3="6.18274"
                           zFract="0.25012717"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="10.08976"
                           xFract="0.56767414"
                           y3="7.34089"
                           yFract="0.81836049"
                           z3="6.1615"
                           zFract="0.24913798"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.67427"
                           xFract="0.81834366"
                           y3="7.32578"
                           yFract="0.81667603"
                           z3="6.30717"
                           zFract="0.24857386"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.97395"
                           xFract="0.64459175"
                           y3="5.75417"
                           yFract="0.64147336"
                           z3="8.20257"
                           zFract="0.34835777"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="12.58578"
                           xFract="0.89599632"
                           y3="5.77338"
                           yFract="0.64361489"
                           z3="8.3824"
                           zFract="0.34926813"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="11.2687"
                           xFract="0.64247028"
                           y3="8.04618"
                           yFract="0.89698603"
                           z3="8.36336"
                           zFract="0.34837502"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.85971"
                           xFract="0.8940841"
                           y3="8.02538"
                           yFract="0.89466726"
                           z3="8.43765"
                           zFract="0.34443611"/>
                     <atom elementType="Br"
                           id="a65"
                           x3="4.08363"
                           xFract="0.14326898"
                           y3="4.52851"
                           yFract="0.50483711"
                           z3="9.88343"
                           zFract="0.4466532"/>
                     <atom elementType="Br"
                           id="a66"
                           x3="7.22102"
                           xFract="0.29994118"
                           y3="7.16851"
                           yFract="0.79914361"
                           z3="10.12407"
                           zFract="0.44453721"/>
                     <atom elementType="Br"
                           id="a67"
                           x3="7.40117"
                           xFract="0.57157118"
                           y3="2.59061"
                           yFract="0.28880052"
                           z3="10.0039"
                           zFract="0.44599702"/>
                     <atom elementType="Br"
                           id="a68"
                           x3="11.23827"
                           xFract="0.97488895"
                           y3="2.00704"
                           yFract="0.22374429"
                           z3="10.17915"
                           zFract="0.44416261"/>
                     <atom elementType="Br"
                           id="a69"
                           x3="11.09617"
                           xFract="0.71039718"
                           y3="6.52263"
                           yFract="0.72714108"
                           z3="10.3569"
                           zFract="0.44541195"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a33" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a4 a33" order="S"/>
                     <bond atomRefs2="a4 a19" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a17" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a34" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a26" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a33" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a41" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a37" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a21" order="S"/>
                     <bond atomRefs2="a8 a26" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a34" order="S"/>
                     <bond atomRefs2="a8 a38" order="S"/>
                     <bond atomRefs2="a8 a37" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a23" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a25" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a26" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a29" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a16 a67" order="S"/>
                     <bond atomRefs2="a16 a43" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a26" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a30" order="S"/>
                     <bond atomRefs2="a16 a47" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a23" order="S"/>
                     <bond atomRefs2="a19 a34" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a27" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a26" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a23" order="S"/>
                     <bond atomRefs2="a22 a28" order="S"/>
                     <bond atomRefs2="a22 a24" order="S"/>
                     <bond atomRefs2="a22 a23" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a24" order="S"/>
                     <bond atomRefs2="a23 a59" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a57" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a30 a61" order="S"/>
                     <bond atomRefs2="a30 a47" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a66" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a61" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a33 a35" order="S"/>
                     <bond atomRefs2="a33 a34" order="S"/>
                     <bond atomRefs2="a33 a37" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a35" order="S"/>
                     <bond atomRefs2="a34 a38" order="S"/>
                     <bond atomRefs2="a34 a37" order="S"/>
                     <bond atomRefs2="a34 a36" order="S"/>
                     <bond atomRefs2="a35 a36" order="S"/>
                     <bond atomRefs2="a35 a39" order="S"/>
                     <bond atomRefs2="a35 a37" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a40" order="S"/>
                     <bond atomRefs2="a36 a39" order="S"/>
                     <bond atomRefs2="a36 a38" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a44" order="S"/>
                     <bond atomRefs2="a38 a40" order="S"/>
                     <bond atomRefs2="a38 a39" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a57" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a58" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a45 a67" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a46 a68" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a57" order="S"/>
                     <bond atomRefs2="a47 a61" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a47 a67" order="S"/>
                     <bond atomRefs2="a48 a68" order="S"/>
                     <bond atomRefs2="a48 a58" order="S"/>
                     <bond atomRefs2="a48 a62" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a61 a69" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a62 a69" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                     <bond atomRefs2="a63 a69" order="S"/>
                  </bondArray>
                  <formula concise="Br5Cu64">
                     <atomArray count="5 64" elementType="Br Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4466.463999999996</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.112">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">10.364410710831562</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">10.364412581405663</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.16843459"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.16843372"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.4184342"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.4184343"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.24343294"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.24343304"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.49343352"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.49343362"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.05808"
                           xFract="0.06866305"
                           y3="0.60535"
                           yFract="0.06748426"
                           z3="5.3717"
                           zFract="0.24920935"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="3.62579"
                           xFract="0.31691007"
                           y3="0.60462"
                           yFract="0.06740288"
                           z3="5.53363"
                           zFract="0.24943635"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="2.35824"
                           xFract="0.06931799"
                           y3="2.85678"
                           yFract="0.31847308"
                           z3="5.52883"
                           zFract="0.2491062"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.94377"
                           xFract="0.3186101"
                           y3="2.86825"
                           yFract="0.31975176"
                           z3="5.68089"
                           zFract="0.24879604"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.26574"
                           xFract="0.14817566"
                           y3="1.2757"
                           yFract="0.1422147"
                           z3="7.56255"
                           zFract="0.34790276"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="4.8171"
                           xFract="0.39500992"
                           y3="1.27195"
                           yFract="0.14179665"
                           z3="7.64552"
                           zFract="0.34445904"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="3.51805"
                           xFract="0.14580561"
                           y3="3.49831"
                           yFract="0.38999068"
                           z3="7.7012"
                           zFract="0.34711449"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.09084"
                           xFract="0.39375792"
                           y3="3.51173"
                           yFract="0.39148674"
                           z3="7.91962"
                           zFract="0.34996667"/>
                     <atom elementType="Cu"
                           id="a17"
                           x3="5.1870"
                           xFract="0.16843382"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a18"
                           x3="6.47529"
                           xFract="0.16843391"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a19"
                           x3="7.77327"
                           xFract="0.4184344"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a20"
                           x3="9.06156"
                           xFract="0.41843449"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="6.34936"
                           xFract="0.24343314"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="7.63765"
                           xFract="0.24343323"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="8.93563"
                           xFract="0.49343372"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="10.22391"
                           xFract="0.49343285"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="3.6196"
                           xFract="0.06633675"
                           y3="5.10615"
                           yFract="0.56923226"
                           z3="5.69592"
                           zFract="0.24958806"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.22774"
                           xFract="0.31954312"
                           y3="5.08649"
                           yFract="0.56704057"
                           z3="5.86927"
                           zFract="0.25026846"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.93729"
                           xFract="0.07076419"
                           y3="7.32016"
                           yFract="0.81604951"
                           z3="5.84836"
                           zFract="0.24927569"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.51364"
                           xFract="0.31896734"
                           y3="7.33526"
                           yFract="0.81773286"
                           z3="5.99012"
                           zFract="0.24850031"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.80277"
                           xFract="0.14221593"
                           y3="5.7993"
                           yFract="0.64650444"
                           z3="7.88109"
                           zFract="0.34804624"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="7.40208"
                           xFract="0.39538951"
                           y3="5.76486"
                           yFract="0.64266508"
                           z3="8.02958"
                           zFract="0.34760467"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.06678"
                           xFract="0.14155216"
                           y3="8.01155"
                           yFract="0.89312549"
                           z3="8.02654"
                           zFract="0.34756214"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.68942"
                           xFract="0.39405665"
                           y3="8.02977"
                           yFract="0.89515665"
                           z3="8.1951"
                           zFract="0.34791158"/>
                     <atom elementType="Cu"
                           id="a33"
                           x3="7.78295"
                           xFract="0.66843382"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a34"
                           x3="9.07124"
                           xFract="0.66843391"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a35"
                           x3="10.36922"
                           xFract="0.9184344"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a36"
                           x3="11.65751"
                           xFract="0.91843449"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a37"
                           x3="8.94531"
                           xFract="0.74343314"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a38"
                           x3="10.2336"
                           xFract="0.74343323"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a39"
                           x3="11.53158"
                           xFract="0.99343372"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a40"
                           x3="12.81986"
                           xFract="0.99343285"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a41"
                           x3="6.25432"
                           xFract="0.57146938"
                           y3="0.59609"
                           yFract="0.06645196"
                           z3="5.69313"
                           zFract="0.2493863"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="8.82636"
                           xFract="0.81788539"
                           y3="0.63587"
                           yFract="0.07088662"
                           z3="5.85583"
                           zFract="0.24956945"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="7.50753"
                           xFract="0.56692121"
                           y3="2.85949"
                           yFract="0.31877519"
                           z3="5.84225"
                           zFract="0.24902096"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.09938"
                           xFract="0.81772551"
                           y3="2.85473"
                           yFract="0.31824455"
                           z3="6.00135"
                           zFract="0.2490516"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.39585"
                           xFract="0.64528925"
                           y3="1.25384"
                           yFract="0.13977775"
                           z3="7.8887"
                           zFract="0.34851411"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="9.97511"
                           xFract="0.89446561"
                           y3="1.25648"
                           yFract="0.14007206"
                           z3="8.0470"
                           zFract="0.34853099"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="8.68603"
                           xFract="0.64326413"
                           y3="3.53616"
                           yFract="0.39421019"
                           z3="8.0298"
                           zFract="0.34763236"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.26325"
                           xFract="0.89232659"
                           y3="3.5373"
                           yFract="0.39433728"
                           z3="8.17415"
                           zFract="0.3469999"/>
                     <atom elementType="Cu"
                           id="a49"
                           x3="10.35953"
                           xFract="0.66843401"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.90692"
                           zFract="0.05000395"/>
                     <atom elementType="Cu"
                           id="a50"
                           x3="11.64782"
                           xFract="0.66843411"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.0652"
                           zFract="0.05000409"/>
                     <atom elementType="Cu"
                           id="a51"
                           x3="12.9458"
                           xFract="0.91843459"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="2.0652"
                           zFract="0.05000408"/>
                     <atom elementType="Cu"
                           id="a52"
                           x3="14.23408"
                           xFract="0.91843372"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.22348"
                           zFract="0.05000424"/>
                     <atom elementType="Cu"
                           id="a53"
                           x3="11.52189"
                           xFract="0.74343333"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.1228"
                           zFract="0.15000418"/>
                     <atom elementType="Cu"
                           id="a54"
                           x3="12.81018"
                           xFract="0.74343343"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.28107"
                           zFract="0.15000385"/>
                     <atom elementType="Cu"
                           id="a55"
                           x3="14.10815"
                           xFract="0.99343294"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.28107"
                           zFract="0.15000386"/>
                     <atom elementType="Cu"
                           id="a56"
                           x3="15.39644"
                           xFract="0.99343304"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.43935"
                           zFract="0.150004"/>
                     <atom elementType="Cu"
                           id="a57"
                           x3="8.81852"
                           xFract="0.56928719"
                           y3="5.09896"
                           yFract="0.56843072"
                           z3="6.03722"
                           zFract="0.25069068"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="11.3998"
                           xFract="0.81957785"
                           y3="5.08505"
                           yFract="0.56688004"
                           z3="6.18288"
                           zFract="0.25013341"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="10.08976"
                           xFract="0.56767469"
                           y3="7.34088"
                           yFract="0.81835938"
                           z3="6.16157"
                           zFract="0.2491413"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.67432"
                           xFract="0.81833628"
                           y3="7.3260"
                           yFract="0.81670056"
                           z3="6.30721"
                           zFract="0.24857524"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.97393"
                           xFract="0.6445776"
                           y3="5.75439"
                           yFract="0.64149789"
                           z3="8.20256"
                           zFract="0.34835698"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="12.58601"
                           xFract="0.89600689"
                           y3="5.77359"
                           yFract="0.6436383"
                           z3="8.38257"
                           zFract="0.34927513"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="11.26871"
                           xFract="0.64246681"
                           y3="8.04626"
                           yFract="0.89699495"
                           z3="8.36346"
                           zFract="0.34837957"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.85984"
                           xFract="0.89408334"
                           y3="8.02562"
                           yFract="0.89469401"
                           z3="8.43761"
                           zFract="0.34443345"/>
                     <atom elementType="Br"
                           id="a65"
                           x3="4.08342"
                           xFract="0.14322647"
                           y3="4.52891"
                           yFract="0.5048817"
                           z3="9.88311"
                           zFract="0.44663805"/>
                     <atom elementType="Br"
                           id="a66"
                           x3="7.22022"
                           xFract="0.29981776"
                           y3="7.16934"
                           yFract="0.79923614"
                           z3="10.12378"
                           zFract="0.44452446"/>
                     <atom elementType="Br"
                           id="a67"
                           x3="7.40079"
                           xFract="0.57152612"
                           y3="2.59076"
                           yFract="0.28881724"
                           z3="10.00353"
                           zFract="0.44598042"/>
                     <atom elementType="Br"
                           id="a68"
                           x3="11.23842"
                           xFract="0.97490123"
                           y3="2.00708"
                           yFract="0.22374875"
                           z3="10.17918"
                           zFract="0.44416353"/>
                     <atom elementType="Br"
                           id="a69"
                           x3="11.09569"
                           xFract="0.71035022"
                           y3="6.52264"
                           yFract="0.72714219"
                           z3="10.35695"
                           zFract="0.44541568"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a33" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a4 a33" order="S"/>
                     <bond atomRefs2="a4 a19" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a17" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a34" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a26" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a33" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a41" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a37" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a21" order="S"/>
                     <bond atomRefs2="a8 a26" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a34" order="S"/>
                     <bond atomRefs2="a8 a38" order="S"/>
                     <bond atomRefs2="a8 a37" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a23" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a25" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a26" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a29" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a16 a67" order="S"/>
                     <bond atomRefs2="a16 a43" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a26" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a30" order="S"/>
                     <bond atomRefs2="a16 a47" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a23" order="S"/>
                     <bond atomRefs2="a19 a34" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a27" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a26" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a23" order="S"/>
                     <bond atomRefs2="a22 a28" order="S"/>
                     <bond atomRefs2="a22 a24" order="S"/>
                     <bond atomRefs2="a22 a23" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a24" order="S"/>
                     <bond atomRefs2="a23 a59" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a57" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a30 a61" order="S"/>
                     <bond atomRefs2="a30 a47" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a66" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a61" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a33 a35" order="S"/>
                     <bond atomRefs2="a33 a34" order="S"/>
                     <bond atomRefs2="a33 a37" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a35" order="S"/>
                     <bond atomRefs2="a34 a38" order="S"/>
                     <bond atomRefs2="a34 a37" order="S"/>
                     <bond atomRefs2="a34 a36" order="S"/>
                     <bond atomRefs2="a35 a36" order="S"/>
                     <bond atomRefs2="a35 a39" order="S"/>
                     <bond atomRefs2="a35 a37" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a40" order="S"/>
                     <bond atomRefs2="a36 a39" order="S"/>
                     <bond atomRefs2="a36 a38" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a44" order="S"/>
                     <bond atomRefs2="a38 a40" order="S"/>
                     <bond atomRefs2="a38 a39" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a57" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a58" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a45 a67" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a46 a68" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a57" order="S"/>
                     <bond atomRefs2="a47 a61" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a47 a67" order="S"/>
                     <bond atomRefs2="a48 a68" order="S"/>
                     <bond atomRefs2="a48 a58" order="S"/>
                     <bond atomRefs2="a48 a62" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a61 a69" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a62 a69" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                     <bond atomRefs2="a63 a69" order="S"/>
                  </bondArray>
                  <formula concise="Br5Cu64">
                     <atomArray count="5 64" elementType="Br Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4466.463999999996</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.113">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">10.364410710831562</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">10.364412581405663</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.16843459"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.16843372"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.4184342"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.4184343"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.24343294"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.24343304"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.49343352"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.49343362"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.05808"
                           xFract="0.06865916"
                           y3="0.60542"
                           yFract="0.06749206"
                           z3="5.37171"
                           zFract="0.24920971"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="3.62582"
                           xFract="0.31691075"
                           y3="0.60466"
                           yFract="0.06740734"
                           z3="5.53366"
                           zFract="0.24943761"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="2.35818"
                           xFract="0.06931164"
                           y3="2.85679"
                           yFract="0.3184742"
                           z3="5.52877"
                           zFract="0.24910353"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.94382"
                           xFract="0.31861271"
                           y3="2.86829"
                           yFract="0.31975622"
                           z3="5.68088"
                           zFract="0.24879535"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.26575"
                           xFract="0.14817385"
                           y3="1.27575"
                           yFract="0.14222028"
                           z3="7.56256"
                           zFract="0.34790311"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="4.81713"
                           xFract="0.39501115"
                           y3="1.27198"
                           yFract="0.1418"
                           z3="7.64556"
                           zFract="0.34446079"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="3.51811"
                           xFract="0.14580363"
                           y3="3.49845"
                           yFract="0.39000629"
                           z3="7.70124"
                           zFract="0.34711597"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.09082"
                           xFract="0.3937521"
                           y3="3.5118"
                           yFract="0.39149454"
                           z3="7.9196"
                           zFract="0.34996567"/>
                     <atom elementType="Cu"
                           id="a17"
                           x3="5.1870"
                           xFract="0.16843382"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a18"
                           x3="6.47529"
                           xFract="0.16843391"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a19"
                           x3="7.77327"
                           xFract="0.4184344"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a20"
                           x3="9.06156"
                           xFract="0.41843449"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="6.34936"
                           xFract="0.24343314"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="7.63765"
                           xFract="0.24343323"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="8.93563"
                           xFract="0.49343372"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="10.22391"
                           xFract="0.49343285"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="3.61957"
                           xFract="0.06633107"
                           y3="5.1062"
                           yFract="0.56923784"
                           z3="5.69589"
                           zFract="0.24958665"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.22774"
                           xFract="0.31954146"
                           y3="5.08652"
                           yFract="0.56704391"
                           z3="5.86927"
                           zFract="0.25026841"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.93729"
                           xFract="0.07075975"
                           y3="7.32024"
                           yFract="0.81605843"
                           z3="5.84832"
                           zFract="0.24927368"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.51368"
                           xFract="0.31897065"
                           y3="7.33527"
                           yFract="0.81773397"
                           z3="5.99008"
                           zFract="0.2484983"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.80275"
                           xFract="0.14221289"
                           y3="5.79932"
                           yFract="0.64650667"
                           z3="7.88114"
                           zFract="0.34804863"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="7.40205"
                           xFract="0.39538439"
                           y3="5.7649"
                           yFract="0.64266954"
                           z3="8.02958"
                           zFract="0.34760469"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.06672"
                           xFract="0.14154025"
                           y3="8.01166"
                           yFract="0.89313775"
                           z3="8.02649"
                           zFract="0.34755977"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.68947"
                           xFract="0.3940576"
                           y3="8.02984"
                           yFract="0.89516445"
                           z3="8.19511"
                           zFract="0.34791179"/>
                     <atom elementType="Cu"
                           id="a33"
                           x3="7.78295"
                           xFract="0.66843382"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a34"
                           x3="9.07124"
                           xFract="0.66843391"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a35"
                           x3="10.36922"
                           xFract="0.9184344"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a36"
                           x3="11.65751"
                           xFract="0.91843449"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a37"
                           x3="8.94531"
                           xFract="0.74343314"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a38"
                           x3="10.2336"
                           xFract="0.74343323"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a39"
                           x3="11.53158"
                           xFract="0.99343372"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a40"
                           x3="12.81986"
                           xFract="0.99343285"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a41"
                           x3="6.25434"
                           xFract="0.57146853"
                           y3="0.59614"
                           yFract="0.06645753"
                           z3="5.69311"
                           zFract="0.24938521"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="8.82637"
                           xFract="0.81788303"
                           y3="0.63593"
                           yFract="0.07089331"
                           z3="5.8558"
                           zFract="0.2495679"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="7.50754"
                           xFract="0.56691996"
                           y3="2.85953"
                           yFract="0.31877965"
                           z3="5.84229"
                           zFract="0.24902275"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.0994"
                           xFract="0.81772356"
                           y3="2.8548"
                           yFract="0.31825235"
                           z3="6.00138"
                           zFract="0.24905284"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.39589"
                           xFract="0.64528812"
                           y3="1.25393"
                           yFract="0.13978779"
                           z3="7.88873"
                           zFract="0.34851526"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="9.97517"
                           xFract="0.89446697"
                           y3="1.25656"
                           yFract="0.14008098"
                           z3="8.04705"
                           zFract="0.34853305"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="8.68606"
                           xFract="0.64326536"
                           y3="3.53619"
                           yFract="0.39421353"
                           z3="8.02983"
                           zFract="0.34763364"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.26328"
                           xFract="0.89232782"
                           y3="3.53733"
                           yFract="0.39434062"
                           z3="8.17427"
                           zFract="0.34700542"/>
                     <atom elementType="Cu"
                           id="a49"
                           x3="10.35953"
                           xFract="0.66843401"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.90692"
                           zFract="0.05000395"/>
                     <atom elementType="Cu"
                           id="a50"
                           x3="11.64782"
                           xFract="0.66843411"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.0652"
                           zFract="0.05000409"/>
                     <atom elementType="Cu"
                           id="a51"
                           x3="12.9458"
                           xFract="0.91843459"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="2.0652"
                           zFract="0.05000408"/>
                     <atom elementType="Cu"
                           id="a52"
                           x3="14.23408"
                           xFract="0.91843372"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.22348"
                           zFract="0.05000424"/>
                     <atom elementType="Cu"
                           id="a53"
                           x3="11.52189"
                           xFract="0.74343333"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.1228"
                           zFract="0.15000418"/>
                     <atom elementType="Cu"
                           id="a54"
                           x3="12.81018"
                           xFract="0.74343343"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.28107"
                           zFract="0.15000385"/>
                     <atom elementType="Cu"
                           id="a55"
                           x3="14.10815"
                           xFract="0.99343294"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.28107"
                           zFract="0.15000386"/>
                     <atom elementType="Cu"
                           id="a56"
                           x3="15.39644"
                           xFract="0.99343304"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.43935"
                           zFract="0.150004"/>
                     <atom elementType="Cu"
                           id="a57"
                           x3="8.81852"
                           xFract="0.56928607"
                           y3="5.09898"
                           yFract="0.56843295"
                           z3="6.0372"
                           zFract="0.2506897"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="11.39983"
                           xFract="0.81957908"
                           y3="5.08508"
                           yFract="0.56688338"
                           z3="6.18292"
                           zFract="0.25013516"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="10.08976"
                           xFract="0.56767469"
                           y3="7.34088"
                           yFract="0.81835938"
                           z3="6.16159"
                           zFract="0.24914224"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.67433"
                           xFract="0.81833336"
                           y3="7.32607"
                           yFract="0.81670836"
                           z3="6.30722"
                           zFract="0.24857556"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.97393"
                           xFract="0.64457371"
                           y3="5.75446"
                           yFract="0.64150569"
                           z3="8.20256"
                           zFract="0.34835687"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="12.58608"
                           xFract="0.89600977"
                           y3="5.77366"
                           yFract="0.6436461"
                           z3="8.38262"
                           zFract="0.34927717"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="11.26871"
                           xFract="0.64246514"
                           y3="8.04629"
                           yFract="0.8969983"
                           z3="8.3635"
                           zFract="0.34838141"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.85989"
                           xFract="0.89408373"
                           y3="8.0257"
                           yFract="0.89470293"
                           z3="8.4376"
                           zFract="0.3444327"/>
                     <atom elementType="Br"
                           id="a65"
                           x3="4.08336"
                           xFract="0.14321345"
                           y3="4.52904"
                           yFract="0.50489619"
                           z3="9.88301"
                           zFract="0.44663329"/>
                     <atom elementType="Br"
                           id="a66"
                           x3="7.21996"
                           xFract="0.29977819"
                           y3="7.1696"
                           yFract="0.79926513"
                           z3="10.12369"
                           zFract="0.44452053"/>
                     <atom elementType="Br"
                           id="a67"
                           x3="7.40067"
                           xFract="0.57151174"
                           y3="2.59081"
                           yFract="0.28882282"
                           z3="10.00341"
                           zFract="0.44597502"/>
                     <atom elementType="Br"
                           id="a68"
                           x3="11.23847"
                           xFract="0.9749055"
                           y3="2.00709"
                           yFract="0.22374987"
                           z3="10.17919"
                           zFract="0.44416384"/>
                     <atom elementType="Br"
                           id="a69"
                           x3="11.09553"
                           xFract="0.71033476"
                           y3="6.52264"
                           yFract="0.72714219"
                           z3="10.35696"
                           zFract="0.44541661"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a33" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a4 a33" order="S"/>
                     <bond atomRefs2="a4 a19" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a17" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a34" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a26" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a33" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a41" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a37" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a21" order="S"/>
                     <bond atomRefs2="a8 a26" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a34" order="S"/>
                     <bond atomRefs2="a8 a38" order="S"/>
                     <bond atomRefs2="a8 a37" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a23" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a25" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a26" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a29" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a16 a67" order="S"/>
                     <bond atomRefs2="a16 a43" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a26" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a30" order="S"/>
                     <bond atomRefs2="a16 a47" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a23" order="S"/>
                     <bond atomRefs2="a19 a34" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a27" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a26" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a23" order="S"/>
                     <bond atomRefs2="a22 a28" order="S"/>
                     <bond atomRefs2="a22 a24" order="S"/>
                     <bond atomRefs2="a22 a23" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a24" order="S"/>
                     <bond atomRefs2="a23 a59" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a57" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a30 a61" order="S"/>
                     <bond atomRefs2="a30 a47" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a66" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a61" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a33 a35" order="S"/>
                     <bond atomRefs2="a33 a34" order="S"/>
                     <bond atomRefs2="a33 a37" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a35" order="S"/>
                     <bond atomRefs2="a34 a38" order="S"/>
                     <bond atomRefs2="a34 a37" order="S"/>
                     <bond atomRefs2="a34 a36" order="S"/>
                     <bond atomRefs2="a35 a36" order="S"/>
                     <bond atomRefs2="a35 a39" order="S"/>
                     <bond atomRefs2="a35 a37" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a40" order="S"/>
                     <bond atomRefs2="a36 a39" order="S"/>
                     <bond atomRefs2="a36 a38" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a44" order="S"/>
                     <bond atomRefs2="a38 a40" order="S"/>
                     <bond atomRefs2="a38 a39" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a57" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a58" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a45 a67" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a46 a68" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a57" order="S"/>
                     <bond atomRefs2="a47 a61" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a47 a67" order="S"/>
                     <bond atomRefs2="a48 a68" order="S"/>
                     <bond atomRefs2="a48 a58" order="S"/>
                     <bond atomRefs2="a48 a62" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a61 a69" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a62 a69" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                     <bond atomRefs2="a63 a69" order="S"/>
                  </bondArray>
                  <formula concise="Br5Cu64">
                     <atomArray count="5 64" elementType="Br Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4466.463999999996</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.114">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">10.364410710831562</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">10.364412581405663</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.16843459"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.16843372"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.4184342"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.4184343"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.24343294"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.24343304"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.49343352"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.49343362"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.05809"
                           xFract="0.06865291"
                           y3="0.60555"
                           yFract="0.06750656"
                           z3="5.37172"
                           zFract="0.24920993"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="3.62589"
                           xFract="0.31691252"
                           y3="0.60475"
                           yFract="0.06741737"
                           z3="5.53372"
                           zFract="0.24944008"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="2.35806"
                           xFract="0.06929893"
                           y3="2.85681"
                           yFract="0.31847643"
                           z3="5.52865"
                           zFract="0.24909818"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.94391"
                           xFract="0.31861641"
                           y3="2.86838"
                           yFract="0.31976625"
                           z3="5.68084"
                           zFract="0.24879306"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.26577"
                           xFract="0.14817023"
                           y3="1.27585"
                           yFract="0.14223142"
                           z3="7.56259"
                           zFract="0.3479043"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="4.81718"
                           xFract="0.3950121"
                           y3="1.27205"
                           yFract="0.1418078"
                           z3="7.64565"
                           zFract="0.34446477"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="3.51824"
                           xFract="0.1458001"
                           y3="3.49874"
                           yFract="0.39003862"
                           z3="7.70133"
                           zFract="0.34711935"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.09078"
                           xFract="0.39374046"
                           y3="3.51194"
                           yFract="0.39151015"
                           z3="7.91956"
                           zFract="0.34996366"/>
                     <atom elementType="Cu"
                           id="a17"
                           x3="5.1870"
                           xFract="0.16843382"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a18"
                           x3="6.47529"
                           xFract="0.16843391"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a19"
                           x3="7.77327"
                           xFract="0.4184344"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a20"
                           x3="9.06156"
                           xFract="0.41843449"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="6.34936"
                           xFract="0.24343314"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="7.63765"
                           xFract="0.24343323"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="8.93563"
                           xFract="0.49343372"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="10.22391"
                           xFract="0.49343285"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="3.61952"
                           xFract="0.06632068"
                           y3="5.1063"
                           yFract="0.56924898"
                           z3="5.69582"
                           zFract="0.24958333"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.22774"
                           xFract="0.31953757"
                           y3="5.08659"
                           yFract="0.56705172"
                           z3="5.86929"
                           zFract="0.25026924"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.93729"
                           xFract="0.07075087"
                           y3="7.3204"
                           yFract="0.81607627"
                           z3="5.84826"
                           zFract="0.24927058"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.51375"
                           xFract="0.3189752"
                           y3="7.33531"
                           yFract="0.81773843"
                           z3="5.99001"
                           zFract="0.24849473"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.80273"
                           xFract="0.14220984"
                           y3="5.79934"
                           yFract="0.6465089"
                           z3="7.88123"
                           zFract="0.34805289"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="7.40199"
                           xFract="0.39537303"
                           y3="5.7650"
                           yFract="0.64268069"
                           z3="8.02957"
                           zFract="0.34760422"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.06661"
                           xFract="0.14151629"
                           y3="8.0119"
                           yFract="0.89316451"
                           z3="8.02638"
                           zFract="0.3475545"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.68958"
                           xFract="0.39405935"
                           y3="8.0300"
                           yFract="0.89518229"
                           z3="8.19512"
                           zFract="0.34791168"/>
                     <atom elementType="Cu"
                           id="a33"
                           x3="7.78295"
                           xFract="0.66843382"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a34"
                           x3="9.07124"
                           xFract="0.66843391"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a35"
                           x3="10.36922"
                           xFract="0.9184344"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a36"
                           x3="11.65751"
                           xFract="0.91843449"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a37"
                           x3="8.94531"
                           xFract="0.74343314"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a38"
                           x3="10.2336"
                           xFract="0.74343323"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a39"
                           x3="11.53158"
                           xFract="0.99343372"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a40"
                           x3="12.81986"
                           xFract="0.99343285"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a41"
                           x3="6.25438"
                           xFract="0.57146685"
                           y3="0.59624"
                           yFract="0.06646868"
                           z3="5.69307"
                           zFract="0.24938304"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="8.82639"
                           xFract="0.8178783"
                           y3="0.63605"
                           yFract="0.07090669"
                           z3="5.85575"
                           zFract="0.24956529"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="7.50757"
                           xFract="0.56691842"
                           y3="2.85961"
                           yFract="0.31878857"
                           z3="5.84235"
                           zFract="0.24902536"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.09944"
                           xFract="0.81772076"
                           y3="2.85492"
                           yFract="0.31826573"
                           z3="6.00144"
                           zFract="0.24905535"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.39598"
                           xFract="0.64528682"
                           y3="1.25411"
                           yFract="0.13980785"
                           z3="7.88878"
                           zFract="0.34851705"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="9.97528"
                           xFract="0.8944676"
                           y3="1.25674"
                           yFract="0.14010105"
                           z3="8.04713"
                           zFract="0.3485362"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="8.68614"
                           xFract="0.64326976"
                           y3="3.53625"
                           yFract="0.39422022"
                           z3="8.0299"
                           zFract="0.34763661"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.26333"
                           xFract="0.89232932"
                           y3="3.53739"
                           yFract="0.39434731"
                           z3="8.17451"
                           zFract="0.34701649"/>
                     <atom elementType="Cu"
                           id="a49"
                           x3="10.35953"
                           xFract="0.66843401"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.90692"
                           zFract="0.05000395"/>
                     <atom elementType="Cu"
                           id="a50"
                           x3="11.64782"
                           xFract="0.66843411"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.0652"
                           zFract="0.05000409"/>
                     <atom elementType="Cu"
                           id="a51"
                           x3="12.9458"
                           xFract="0.91843459"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="2.0652"
                           zFract="0.05000408"/>
                     <atom elementType="Cu"
                           id="a52"
                           x3="14.23408"
                           xFract="0.91843372"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.22348"
                           zFract="0.05000424"/>
                     <atom elementType="Cu"
                           id="a53"
                           x3="11.52189"
                           xFract="0.74343333"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.1228"
                           zFract="0.15000418"/>
                     <atom elementType="Cu"
                           id="a54"
                           x3="12.81018"
                           xFract="0.74343343"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.28107"
                           zFract="0.15000385"/>
                     <atom elementType="Cu"
                           id="a55"
                           x3="14.10815"
                           xFract="0.99343294"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.28107"
                           zFract="0.15000386"/>
                     <atom elementType="Cu"
                           id="a56"
                           x3="15.39644"
                           xFract="0.99343304"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.43935"
                           zFract="0.150004"/>
                     <atom elementType="Cu"
                           id="a57"
                           x3="8.81853"
                           xFract="0.56928482"
                           y3="5.09902"
                           yFract="0.56843741"
                           z3="6.03715"
                           zFract="0.25068725"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="11.39988"
                           xFract="0.81958058"
                           y3="5.08514"
                           yFract="0.56689007"
                           z3="6.18302"
                           zFract="0.25013963"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="10.08976"
                           xFract="0.56767525"
                           y3="7.34087"
                           yFract="0.81835826"
                           z3="6.16163"
                           zFract="0.24914415"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.67436"
                           xFract="0.81832793"
                           y3="7.32622"
                           yFract="0.81672508"
                           z3="6.30725"
                           zFract="0.24857664"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.97391"
                           xFract="0.64456344"
                           y3="5.75461"
                           yFract="0.64152241"
                           z3="8.20255"
                           zFract="0.3483562"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="12.58623"
                           xFract="0.89601649"
                           y3="5.7738"
                           yFract="0.64366171"
                           z3="8.38273"
                           zFract="0.34928169"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="11.26871"
                           xFract="0.64246236"
                           y3="8.04634"
                           yFract="0.89700387"
                           z3="8.36357"
                           zFract="0.34838463"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.85997"
                           xFract="0.89408313"
                           y3="8.02585"
                           yFract="0.89471965"
                           z3="8.43758"
                           zFract="0.34443128"/>
                     <atom elementType="Br"
                           id="a65"
                           x3="4.08322"
                           xFract="0.14318604"
                           y3="4.52929"
                           yFract="0.50492406"
                           z3="9.8828"
                           zFract="0.44662338"/>
                     <atom elementType="Br"
                           id="a66"
                           x3="7.21944"
                           xFract="0.29969793"
                           y3="7.17014"
                           yFract="0.79932532"
                           z3="10.1235"
                           zFract="0.44451217"/>
                     <atom elementType="Br"
                           id="a67"
                           x3="7.40042"
                           xFract="0.57148202"
                           y3="2.59091"
                           yFract="0.28883397"
                           z3="10.00317"
                           zFract="0.44596426"/>
                     <atom elementType="Br"
                           id="a68"
                           x3="11.23857"
                           xFract="0.97491406"
                           y3="2.00711"
                           yFract="0.2237521"
                           z3="10.17921"
                           zFract="0.44416446"/>
                     <atom elementType="Br"
                           id="a69"
                           x3="11.09522"
                           xFract="0.71030479"
                           y3="6.52264"
                           yFract="0.72714219"
                           z3="10.35699"
                           zFract="0.44541892"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a33" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a4 a33" order="S"/>
                     <bond atomRefs2="a4 a19" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a17" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a34" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a26" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a33" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a41" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a37" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a21" order="S"/>
                     <bond atomRefs2="a8 a26" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a34" order="S"/>
                     <bond atomRefs2="a8 a38" order="S"/>
                     <bond atomRefs2="a8 a37" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a23" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a25" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a26" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a29" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a16 a67" order="S"/>
                     <bond atomRefs2="a16 a43" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a26" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a30" order="S"/>
                     <bond atomRefs2="a16 a47" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a23" order="S"/>
                     <bond atomRefs2="a19 a34" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a27" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a26" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a23" order="S"/>
                     <bond atomRefs2="a22 a28" order="S"/>
                     <bond atomRefs2="a22 a24" order="S"/>
                     <bond atomRefs2="a22 a23" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a24" order="S"/>
                     <bond atomRefs2="a23 a59" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a57" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a30 a61" order="S"/>
                     <bond atomRefs2="a30 a47" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a66" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a61" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a33 a35" order="S"/>
                     <bond atomRefs2="a33 a34" order="S"/>
                     <bond atomRefs2="a33 a37" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a35" order="S"/>
                     <bond atomRefs2="a34 a38" order="S"/>
                     <bond atomRefs2="a34 a37" order="S"/>
                     <bond atomRefs2="a34 a36" order="S"/>
                     <bond atomRefs2="a35 a36" order="S"/>
                     <bond atomRefs2="a35 a39" order="S"/>
                     <bond atomRefs2="a35 a37" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a40" order="S"/>
                     <bond atomRefs2="a36 a39" order="S"/>
                     <bond atomRefs2="a36 a38" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a44" order="S"/>
                     <bond atomRefs2="a38 a40" order="S"/>
                     <bond atomRefs2="a38 a39" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a57" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a58" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a45 a67" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a46 a68" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a57" order="S"/>
                     <bond atomRefs2="a47 a61" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a47 a67" order="S"/>
                     <bond atomRefs2="a48 a68" order="S"/>
                     <bond atomRefs2="a48 a58" order="S"/>
                     <bond atomRefs2="a48 a62" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a61 a69" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a62 a69" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                     <bond atomRefs2="a63 a69" order="S"/>
                  </bondArray>
                  <formula concise="Br5Cu64">
                     <atomArray count="5 64" elementType="Br Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4466.463999999996</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.115">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">10.364410710831562</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">10.364412581405663</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.16843459"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.16843372"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.4184342"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.4184343"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.24343294"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.24343304"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.49343352"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.49343362"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.05811"
                           xFract="0.06864207"
                           y3="0.60578"
                           yFract="0.0675322"
                           z3="5.37175"
                           zFract="0.2492109"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="3.6260"
                           xFract="0.31691482"
                           y3="0.6049"
                           yFract="0.06743409"
                           z3="5.53374"
                           zFract="0.24944046"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="2.35808"
                           xFract="0.06930086"
                           y3="2.85681"
                           yFract="0.31847643"
                           z3="5.5285"
                           zFract="0.24909105"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.94398"
                           xFract="0.31861374"
                           y3="2.86855"
                           yFract="0.3197852"
                           z3="5.68082"
                           zFract="0.24879163"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.26585"
                           xFract="0.14817463"
                           y3="1.27591"
                           yFract="0.14223811"
                           z3="7.5625"
                           zFract="0.34789973"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="4.81715"
                           xFract="0.39500365"
                           y3="1.27215"
                           yFract="0.14181895"
                           z3="7.64562"
                           zFract="0.34446328"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="3.51838"
                           xFract="0.14580086"
                           y3="3.49897"
                           yFract="0.39006426"
                           z3="7.7015"
                           zFract="0.34712658"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.09056"
                           xFract="0.3937142"
                           y3="3.51203"
                           yFract="0.39152018"
                           z3="7.91946"
                           zFract="0.34995943"/>
                     <atom elementType="Cu"
                           id="a17"
                           x3="5.1870"
                           xFract="0.16843382"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a18"
                           x3="6.47529"
                           xFract="0.16843391"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a19"
                           x3="7.77327"
                           xFract="0.4184344"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a20"
                           x3="9.06156"
                           xFract="0.41843449"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="6.34936"
                           xFract="0.24343314"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="7.63765"
                           xFract="0.24343323"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="8.93563"
                           xFract="0.49343372"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="10.22391"
                           xFract="0.49343285"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="3.61948"
                           xFract="0.06631571"
                           y3="5.10632"
                           yFract="0.56925121"
                           z3="5.69572"
                           zFract="0.24957869"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.22766"
                           xFract="0.31951984"
                           y3="5.08677"
                           yFract="0.56707178"
                           z3="5.86936"
                           zFract="0.25027247"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.9373"
                           xFract="0.07074628"
                           y3="7.3205"
                           yFract="0.81608742"
                           z3="5.84826"
                           zFract="0.24927038"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.51386"
                           xFract="0.31898472"
                           y3="7.33533"
                           yFract="0.81774066"
                           z3="5.98987"
                           zFract="0.24848777"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.80274"
                           xFract="0.14221025"
                           y3="5.79935"
                           yFract="0.64651002"
                           z3="7.88129"
                           zFract="0.34805568"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="7.4019"
                           xFract="0.39535434"
                           y3="5.76518"
                           yFract="0.64270075"
                           z3="8.02961"
                           zFract="0.34760607"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.06645"
                           xFract="0.14148805"
                           y3="8.01213"
                           yFract="0.89319015"
                           z3="8.02619"
                           zFract="0.34754562"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.68963"
                           xFract="0.39405418"
                           y3="8.03018"
                           yFract="0.89520236"
                           z3="8.19508"
                           zFract="0.34790935"/>
                     <atom elementType="Cu"
                           id="a33"
                           x3="7.78295"
                           xFract="0.66843382"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.59037"
                           zFract="0.05000415"/>
                     <atom elementType="Cu"
                           id="a34"
                           x3="9.07124"
                           xFract="0.66843391"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.74864"
                           zFract="0.05000381"/>
                     <atom elementType="Cu"
                           id="a35"
                           x3="10.36922"
                           xFract="0.9184344"
                           y3="1.51089"
                           yFract="0.16843362"
                           z3="1.74864"
                           zFract="0.0500038"/>
                     <atom elementType="Cu"
                           id="a36"
                           x3="11.65751"
                           xFract="0.91843449"
                           y3="3.75345"
                           yFract="0.41843362"
                           z3="1.90692"
                           zFract="0.05000394"/>
                     <atom elementType="Cu"
                           id="a37"
                           x3="8.94531"
                           xFract="0.74343314"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.80624"
                           zFract="0.1500039"/>
                     <atom elementType="Cu"
                           id="a38"
                           x3="10.2336"
                           xFract="0.74343323"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="3.96452"
                           zFract="0.15000404"/>
                     <atom elementType="Cu"
                           id="a39"
                           x3="11.53158"
                           xFract="0.99343372"
                           y3="2.18366"
                           yFract="0.24343384"
                           z3="3.96452"
                           zFract="0.15000403"/>
                     <atom elementType="Cu"
                           id="a40"
                           x3="12.81986"
                           xFract="0.99343285"
                           y3="4.42622"
                           yFract="0.49343384"
                           z3="4.1228"
                           zFract="0.1500042"/>
                     <atom elementType="Cu"
                           id="a41"
                           x3="6.25452"
                           xFract="0.57147705"
                           y3="0.5963"
                           yFract="0.06647537"
                           z3="5.69291"
                           zFract="0.249375"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="8.82646"
                           xFract="0.81787562"
                           y3="0.63622"
                           yFract="0.07092564"
                           z3="5.85573"
                           zFract="0.24956386"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="7.50753"
                           xFract="0.56690789"
                           y3="2.85973"
                           yFract="0.31880195"
                           z3="5.84254"
                           zFract="0.24903424"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.09939"
                           xFract="0.81770982"
                           y3="2.85503"
                           yFract="0.31827799"
                           z3="6.00147"
                           zFract="0.24905673"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.39605"
                           xFract="0.64529137"
                           y3="1.25415"
                           yFract="0.13981231"
                           z3="7.88863"
                           zFract="0.34850971"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="9.97542"
                           xFract="0.89447336"
                           y3="1.25688"
                           yFract="0.14011665"
                           z3="8.04721"
                           zFract="0.34853933"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="8.68625"
                           xFract="0.6432754"
                           y3="3.53634"
                           yFract="0.39423025"
                           z3="8.02983"
                           zFract="0.34763284"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.26344"
                           xFract="0.89232774"
                           y3="3.53761"
                           yFract="0.39437183"
                           z3="8.17464"
                           zFract="0.34702194"/>
                     <atom elementType="Cu"
                           id="a49"
                           x3="10.35953"
                           xFract="0.66843401"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="1.90692"
                           zFract="0.05000395"/>
                     <atom elementType="Cu"
                           id="a50"
                           x3="11.64782"
                           xFract="0.66843411"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.0652"
                           zFract="0.05000409"/>
                     <atom elementType="Cu"
                           id="a51"
                           x3="12.9458"
                           xFract="0.91843459"
                           y3="5.99601"
                           yFract="0.66843362"
                           z3="2.0652"
                           zFract="0.05000408"/>
                     <atom elementType="Cu"
                           id="a52"
                           x3="14.23408"
                           xFract="0.91843372"
                           y3="8.23857"
                           yFract="0.91843362"
                           z3="2.22348"
                           zFract="0.05000424"/>
                     <atom elementType="Cu"
                           id="a53"
                           x3="11.52189"
                           xFract="0.74343333"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.1228"
                           zFract="0.15000418"/>
                     <atom elementType="Cu"
                           id="a54"
                           x3="12.81018"
                           xFract="0.74343343"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.28107"
                           zFract="0.15000385"/>
                     <atom elementType="Cu"
                           id="a55"
                           x3="14.10815"
                           xFract="0.99343294"
                           y3="6.66878"
                           yFract="0.74343384"
                           z3="4.28107"
                           zFract="0.15000386"/>
                     <atom elementType="Cu"
                           id="a56"
                           x3="15.39644"
                           xFract="0.99343304"
                           y3="8.91134"
                           yFract="0.99343384"
                           z3="4.43935"
                           zFract="0.150004"/>
                     <atom elementType="Cu"
                           id="a57"
                           x3="8.81841"
                           xFract="0.56927822"
                           y3="5.09893"
                           yFract="0.56842738"
                           z3="6.03701"
                           zFract="0.25068115"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="11.39988"
                           xFract="0.8195828"
                           y3="5.0851"
                           yFract="0.56688561"
                           z3="6.18304"
                           zFract="0.25014064"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="10.08975"
                           xFract="0.56767928"
                           y3="7.34078"
                           yFract="0.81834823"
                           z3="6.1616"
                           zFract="0.24914291"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.6745"
                           xFract="0.81833147"
                           y3="7.3264"
                           yFract="0.81674515"
                           z3="6.30726"
                           zFract="0.24857641"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.97399"
                           xFract="0.64456007"
                           y3="5.75481"
                           yFract="0.64154471"
                           z3="8.20251"
                           zFract="0.34835375"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="12.58631"
                           xFract="0.89601812"
                           y3="5.77391"
                           yFract="0.64367397"
                           z3="8.38278"
                           zFract="0.34928363"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="11.26887"
                           xFract="0.6424856"
                           y3="8.0462"
                           yFract="0.89698826"
                           z3="8.36362"
                           zFract="0.34838676"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.85997"
                           xFract="0.89407758"
                           y3="8.02595"
                           yFract="0.8947308"
                           z3="8.43758"
                           zFract="0.34443111"/>
                     <atom elementType="Br"
                           id="a65"
                           x3="4.0830"
                           xFract="0.14314533"
                           y3="4.52964"
                           yFract="0.50496308"
                           z3="9.88254"
                           zFract="0.44661117"/>
                     <atom elementType="Br"
                           id="a66"
                           x3="7.21931"
                           xFract="0.29968092"
                           y3="7.17022"
                           yFract="0.79933424"
                           z3="10.12308"
                           zFract="0.44449261"/>
                     <atom elementType="Br"
                           id="a67"
                           x3="7.4004"
                           xFract="0.5714712"
                           y3="2.59107"
                           yFract="0.2888518"
                           z3="10.00353"
                           zFract="0.44598103"/>
                     <atom elementType="Br"
                           id="a68"
                           x3="11.23815"
                           xFract="0.97486902"
                           y3="2.00719"
                           yFract="0.22376101"
                           z3="10.1789"
                           zFract="0.44415092"/>
                     <atom elementType="Br"
                           id="a69"
                           x3="11.0950"
                           xFract="0.7102813"
                           y3="6.52268"
                           yFract="0.72714665"
                           z3="10.35708"
                           zFract="0.44542373"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a33" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a4 a33" order="S"/>
                     <bond atomRefs2="a4 a19" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a17" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a34" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a26" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a33" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a41" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a37" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a21" order="S"/>
                     <bond atomRefs2="a8 a26" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a34" order="S"/>
                     <bond atomRefs2="a8 a38" order="S"/>
                     <bond atomRefs2="a8 a37" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a23" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a41" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a25" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a26" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a29" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a16 a67" order="S"/>
                     <bond atomRefs2="a16 a43" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a26" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a30" order="S"/>
                     <bond atomRefs2="a16 a47" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a23" order="S"/>
                     <bond atomRefs2="a19 a34" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a27" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a26" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a23" order="S"/>
                     <bond atomRefs2="a22 a28" order="S"/>
                     <bond atomRefs2="a22 a24" order="S"/>
                     <bond atomRefs2="a22 a23" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a24" order="S"/>
                     <bond atomRefs2="a23 a59" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a57" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a57" order="S"/>
                     <bond atomRefs2="a30 a61" order="S"/>
                     <bond atomRefs2="a30 a47" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a66" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a61" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a33 a35" order="S"/>
                     <bond atomRefs2="a33 a34" order="S"/>
                     <bond atomRefs2="a33 a37" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a34 a35" order="S"/>
                     <bond atomRefs2="a34 a38" order="S"/>
                     <bond atomRefs2="a34 a37" order="S"/>
                     <bond atomRefs2="a34 a36" order="S"/>
                     <bond atomRefs2="a35 a36" order="S"/>
                     <bond atomRefs2="a35 a39" order="S"/>
                     <bond atomRefs2="a35 a37" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a40" order="S"/>
                     <bond atomRefs2="a36 a39" order="S"/>
                     <bond atomRefs2="a36 a38" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a43" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a44" order="S"/>
                     <bond atomRefs2="a38 a40" order="S"/>
                     <bond atomRefs2="a38 a39" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a58" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a57" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a58" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a45 a67" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a46 a68" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a57" order="S"/>
                     <bond atomRefs2="a47 a61" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a47 a67" order="S"/>
                     <bond atomRefs2="a48 a68" order="S"/>
                     <bond atomRefs2="a48 a58" order="S"/>
                     <bond atomRefs2="a48 a62" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a61 a69" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a62 a69" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                     <bond atomRefs2="a63 a69" order="S"/>
                  </bondArray>
                  <formula concise="Br5Cu64">
                     <atomArray count="5 64" elementType="Br Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4466.463999999996</scalar>
                  </property>
               </molecule>
            </module>
         </module>
         <module dictRef="cc:finalization" id="finalization">
            <propertyList>
               <property dictRef="v:magnetization">
                  <module cmlx:templateRef="magnetization">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="69">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69</array>
                     <array dataType="xsd:double" dictRef="v:coeffs" size="69">0.000 -0.000 -0.000 -0.000 0.000 0.000 -0.000 -0.000 0.000 -0.000 0.000 0.000 -0.000 -0.000 -0.000 -0.000 0.000 -0.000 0.000 0.000 -0.000 0.000 -0.000 0.000 0.000 0.000 0.000 -0.000 0.000 -0.000 0.000 -0.000 0.000 0.000 -0.000 0.000 0.000 0.000 0.000 -0.000 -0.000 -0.000 0.000 0.000 -0.000 0.000 0.000 0.000 0.000 0.000 -0.000 -0.000 -0.000 0.000 0.000 0.000 -0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -0.000 0.000 0.000 -0.000 -0.000</array>
                     <array dataType="xsd:double" dictRef="v:coeffp" size="69">-0.000 -0.000 0.000 0.000 -0.000 -0.000 -0.000 0.000 -0.000 -0.000 0.000 0.000 -0.000 0.000 0.000 -0.000 0.000 0.000 0.000 0.000 -0.000 -0.000 -0.000 -0.000 0.000 -0.000 -0.000 -0.000 -0.000 0.000 -0.000 0.000 0.000 0.000 -0.000 0.000 -0.000 -0.000 -0.000 -0.000 0.000 -0.000 -0.000 -0.000 0.000 0.000 -0.000 0.000 0.000 0.000 -0.000 0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000 0.000 -0.000 0.000 -0.000 -0.000 0.000 0.000 0.000 0.000 -0.000 -0.000</array>
                     <array dataType="xsd:double" dictRef="v:coeffd" size="69">-0.000 -0.000 -0.000 0.000 0.000 -0.000 -0.000 -0.000 0.000 0.000 -0.000 -0.000 -0.000 0.000 0.000 -0.000 0.000 0.000 -0.000 -0.000 -0.000 0.000 0.000 0.000 0.000 -0.000 -0.000 -0.000 0.000 0.000 0.000 -0.000 0.000 0.000 -0.000 0.000 0.000 -0.000 0.000 0.000 -0.000 -0.000 0.000 -0.000 -0.000 -0.000 -0.000 -0.000 0.000 0.000 -0.000 0.000 -0.000 0.000 0.000 0.000 -0.000 -0.000 -0.000 0.000 -0.000 -0.000 -0.000 0.000 -0.000 -0.000 0.000 -0.000 0.000</array>
                     <array dataType="xsd:double" dictRef="v:coefftotal" size="69">-0.000 -0.000 -0.000 0.000 0.000 -0.000 -0.000 -0.000 0.000 0.000 -0.000 0.000 -0.000 -0.000 0.000 -0.000 0.000 -0.000 0.000 -0.000 -0.000 0.000 -0.000 -0.000 0.000 -0.000 -0.000 -0.000 0.000 0.000 0.000 -0.000 0.000 0.000 -0.000 0.000 0.000 -0.000 0.000 0.000 0.000 -0.000 0.000 -0.000 -0.000 0.000 -0.000 -0.000 0.000 0.000 -0.000 0.000 -0.000 0.000 0.000 0.000 -0.000 -0.000 0.000 0.000 0.000 -0.000 -0.000 0.000 0.000 0.000 0.000 -0.000 -0.000</array>
                     <list cmlx:templateRef="totals">
                        <scalar dataType="xsd:double" dictRef="v:totalcoeffs">0.000</scalar>
                        <scalar dataType="xsd:double" dictRef="v:totalcoeffp">0.000</scalar>
                        <scalar dataType="xsd:double" dictRef="v:totalcoeffd">-0.000</scalar>
                        <scalar dataType="xsd:double" dictRef="v:coefftotalsum">0.000</scalar>
                     </list>
                  </module>
               </property>
               <property dictRef="cc:energies">
                  <module cmlx:templateRef="energies">
                     <array dataType="xsd:double"
                            dictRef="cc:freeEnergy"
                            size="1"
                            units="nonsi:electronvolt">-93.09537578</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-93.05698203</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-93.08257786</array>
                     <array dataType="xsd:double"
                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">-1.3021</array>
                     <array dataType="xsd:double"
                            dictRef="cc:deltaEnergy"
                            size="1"
                            units="nonsi:electronvolt">0.1509831E-04</array>
                  </module>
               </property>
            </propertyList>
            <molecule id="final">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">10.364410710831562</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">10.364412581405663</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</scalar>
                  <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                  <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                  <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
               </crystal>
               <atomArray>
                  <atom elementType="Cu"
                        id="a1"
                        x3="2.61043"
                        xFract="0.16843459"
                        y3="1.51089"
                        yFract="0.16843362"
                        z3="1.27381"
                        zFract="0.05000384"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="3.89871"
                        xFract="0.16843372"
                        y3="3.75345"
                        yFract="0.41843362"
                        z3="1.43209"
                        zFract="0.05000401"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="5.19669"
                        xFract="0.4184342"
                        y3="1.51089"
                        yFract="0.16843362"
                        z3="1.43209"
                        zFract="0.05000399"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="6.48498"
                        xFract="0.4184343"
                        y3="3.75345"
                        yFract="0.41843362"
                        z3="1.59037"
                        zFract="0.05000413"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="3.77278"
                        xFract="0.24343294"
                        y3="2.18366"
                        yFract="0.24343384"
                        z3="3.48969"
                        zFract="0.1500041"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="5.06107"
                        xFract="0.24343304"
                        y3="4.42622"
                        yFract="0.49343384"
                        z3="3.64797"
                        zFract="0.15000424"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="6.35905"
                        xFract="0.49343352"
                        y3="2.18366"
                        yFract="0.24343384"
                        z3="3.64797"
                        zFract="0.15000422"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="7.64734"
                        xFract="0.49343362"
                        y3="4.42622"
                        yFract="0.49343384"
                        z3="3.80624"
                        zFract="0.15000389"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="1.05811"
                        xFract="0.06864207"
                        y3="0.60578"
                        yFract="0.0675322"
                        z3="5.37175"
                        zFract="0.2492109"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="3.6260"
                        xFract="0.31691482"
                        y3="0.6049"
                        yFract="0.06743409"
                        z3="5.53374"
                        zFract="0.24944046"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="2.35808"
                        xFract="0.06930086"
                        y3="2.85681"
                        yFract="0.31847643"
                        z3="5.5285"
                        zFract="0.24909105"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="4.94398"
                        xFract="0.31861374"
                        y3="2.86855"
                        yFract="0.3197852"
                        z3="5.68082"
                        zFract="0.24879163"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="2.26585"
                        xFract="0.14817463"
                        y3="1.27591"
                        yFract="0.14223811"
                        z3="7.5625"
                        zFract="0.34789973"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="4.81715"
                        xFract="0.39500365"
                        y3="1.27215"
                        yFract="0.14181895"
                        z3="7.64562"
                        zFract="0.34446328"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="3.51838"
                        xFract="0.14580086"
                        y3="3.49897"
                        yFract="0.39006426"
                        z3="7.7015"
                        zFract="0.34712658"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="6.09056"
                        xFract="0.3937142"
                        y3="3.51203"
                        yFract="0.39152018"
                        z3="7.91946"
                        zFract="0.34995943"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="5.1870"
                        xFract="0.16843382"
                        y3="5.99601"
                        yFract="0.66843362"
                        z3="1.59037"
                        zFract="0.05000415"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="6.47529"
                        xFract="0.16843391"
                        y3="8.23857"
                        yFract="0.91843362"
                        z3="1.74864"
                        zFract="0.05000381"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="7.77327"
                        xFract="0.4184344"
                        y3="5.99601"
                        yFract="0.66843362"
                        z3="1.74864"
                        zFract="0.0500038"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="9.06156"
                        xFract="0.41843449"
                        y3="8.23857"
                        yFract="0.91843362"
                        z3="1.90692"
                        zFract="0.05000394"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="6.34936"
                        xFract="0.24343314"
                        y3="6.66878"
                        yFract="0.74343384"
                        z3="3.80624"
                        zFract="0.1500039"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="7.63765"
                        xFract="0.24343323"
                        y3="8.91134"
                        yFract="0.99343384"
                        z3="3.96452"
                        zFract="0.15000404"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="8.93563"
                        xFract="0.49343372"
                        y3="6.66878"
                        yFract="0.74343384"
                        z3="3.96452"
                        zFract="0.15000403"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="10.22391"
                        xFract="0.49343285"
                        y3="8.91134"
                        yFract="0.99343384"
                        z3="4.1228"
                        zFract="0.1500042"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="3.61948"
                        xFract="0.06631571"
                        y3="5.10632"
                        yFract="0.56925121"
                        z3="5.69572"
                        zFract="0.24957869"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="6.22766"
                        xFract="0.31951984"
                        y3="5.08677"
                        yFract="0.56707178"
                        z3="5.86936"
                        zFract="0.25027247"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="4.9373"
                        xFract="0.07074628"
                        y3="7.3205"
                        yFract="0.81608742"
                        z3="5.84826"
                        zFract="0.24927038"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="7.51386"
                        xFract="0.31898472"
                        y3="7.33533"
                        yFract="0.81774066"
                        z3="5.98987"
                        zFract="0.24848777"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="4.80274"
                        xFract="0.14221025"
                        y3="5.79935"
                        yFract="0.64651002"
                        z3="7.88129"
                        zFract="0.34805568"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="7.4019"
                        xFract="0.39535434"
                        y3="5.76518"
                        yFract="0.64270075"
                        z3="8.02961"
                        zFract="0.34760607"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="6.06645"
                        xFract="0.14148805"
                        y3="8.01213"
                        yFract="0.89319015"
                        z3="8.02619"
                        zFract="0.34754562"/>
                  <atom elementType="Cu"
                        id="a32"
                        x3="8.68963"
                        xFract="0.39405418"
                        y3="8.03018"
                        yFract="0.89520236"
                        z3="8.19508"
                        zFract="0.34790935"/>
                  <atom elementType="Cu"
                        id="a33"
                        x3="7.78295"
                        xFract="0.66843382"
                        y3="1.51089"
                        yFract="0.16843362"
                        z3="1.59037"
                        zFract="0.05000415"/>
                  <atom elementType="Cu"
                        id="a34"
                        x3="9.07124"
                        xFract="0.66843391"
                        y3="3.75345"
                        yFract="0.41843362"
                        z3="1.74864"
                        zFract="0.05000381"/>
                  <atom elementType="Cu"
                        id="a35"
                        x3="10.36922"
                        xFract="0.9184344"
                        y3="1.51089"
                        yFract="0.16843362"
                        z3="1.74864"
                        zFract="0.0500038"/>
                  <atom elementType="Cu"
                        id="a36"
                        x3="11.65751"
                        xFract="0.91843449"
                        y3="3.75345"
                        yFract="0.41843362"
                        z3="1.90692"
                        zFract="0.05000394"/>
                  <atom elementType="Cu"
                        id="a37"
                        x3="8.94531"
                        xFract="0.74343314"
                        y3="2.18366"
                        yFract="0.24343384"
                        z3="3.80624"
                        zFract="0.1500039"/>
                  <atom elementType="Cu"
                        id="a38"
                        x3="10.2336"
                        xFract="0.74343323"
                        y3="4.42622"
                        yFract="0.49343384"
                        z3="3.96452"
                        zFract="0.15000404"/>
                  <atom elementType="Cu"
                        id="a39"
                        x3="11.53158"
                        xFract="0.99343372"
                        y3="2.18366"
                        yFract="0.24343384"
                        z3="3.96452"
                        zFract="0.15000403"/>
                  <atom elementType="Cu"
                        id="a40"
                        x3="12.81986"
                        xFract="0.99343285"
                        y3="4.42622"
                        yFract="0.49343384"
                        z3="4.1228"
                        zFract="0.1500042"/>
                  <atom elementType="Cu"
                        id="a41"
                        x3="6.25452"
                        xFract="0.57147705"
                        y3="0.5963"
                        yFract="0.06647537"
                        z3="5.69291"
                        zFract="0.249375"/>
                  <atom elementType="Cu"
                        id="a42"
                        x3="8.82646"
                        xFract="0.81787562"
                        y3="0.63622"
                        yFract="0.07092564"
                        z3="5.85573"
                        zFract="0.24956386"/>
                  <atom elementType="Cu"
                        id="a43"
                        x3="7.50753"
                        xFract="0.56690789"
                        y3="2.85973"
                        yFract="0.31880195"
                        z3="5.84254"
                        zFract="0.24903424"/>
                  <atom elementType="Cu"
                        id="a44"
                        x3="10.09939"
                        xFract="0.81770982"
                        y3="2.85503"
                        yFract="0.31827799"
                        z3="6.00147"
                        zFract="0.24905673"/>
                  <atom elementType="Cu"
                        id="a45"
                        x3="7.39605"
                        xFract="0.64529137"
                        y3="1.25415"
                        yFract="0.13981231"
                        z3="7.88863"
                        zFract="0.34850971"/>
                  <atom elementType="Cu"
                        id="a46"
                        x3="9.97542"
                        xFract="0.89447336"
                        y3="1.25688"
                        yFract="0.14011665"
                        z3="8.04721"
                        zFract="0.34853933"/>
                  <atom elementType="Cu"
                        id="a47"
                        x3="8.68625"
                        xFract="0.6432754"
                        y3="3.53634"
                        yFract="0.39423025"
                        z3="8.02983"
                        zFract="0.34763284"/>
                  <atom elementType="Cu"
                        id="a48"
                        x3="11.26344"
                        xFract="0.89232774"
                        y3="3.53761"
                        yFract="0.39437183"
                        z3="8.17464"
                        zFract="0.34702194"/>
                  <atom elementType="Cu"
                        id="a49"
                        x3="10.35953"
                        xFract="0.66843401"
                        y3="5.99601"
                        yFract="0.66843362"
                        z3="1.90692"
                        zFract="0.05000395"/>
                  <atom elementType="Cu"
                        id="a50"
                        x3="11.64782"
                        xFract="0.66843411"
                        y3="8.23857"
                        yFract="0.91843362"
                        z3="2.0652"
                        zFract="0.05000409"/>
                  <atom elementType="Cu"
                        id="a51"
                        x3="12.9458"
                        xFract="0.91843459"
                        y3="5.99601"
                        yFract="0.66843362"
                        z3="2.0652"
                        zFract="0.05000408"/>
                  <atom elementType="Cu"
                        id="a52"
                        x3="14.23408"
                        xFract="0.91843372"
                        y3="8.23857"
                        yFract="0.91843362"
                        z3="2.22348"
                        zFract="0.05000424"/>
                  <atom elementType="Cu"
                        id="a53"
                        x3="11.52189"
                        xFract="0.74343333"
                        y3="6.66878"
                        yFract="0.74343384"
                        z3="4.1228"
                        zFract="0.15000418"/>
                  <atom elementType="Cu"
                        id="a54"
                        x3="12.81018"
                        xFract="0.74343343"
                        y3="8.91134"
                        yFract="0.99343384"
                        z3="4.28107"
                        zFract="0.15000385"/>
                  <atom elementType="Cu"
                        id="a55"
                        x3="14.10815"
                        xFract="0.99343294"
                        y3="6.66878"
                        yFract="0.74343384"
                        z3="4.28107"
                        zFract="0.15000386"/>
                  <atom elementType="Cu"
                        id="a56"
                        x3="15.39644"
                        xFract="0.99343304"
                        y3="8.91134"
                        yFract="0.99343384"
                        z3="4.43935"
                        zFract="0.150004"/>
                  <atom elementType="Cu"
                        id="a57"
                        x3="8.81841"
                        xFract="0.56927822"
                        y3="5.09893"
                        yFract="0.56842738"
                        z3="6.03701"
                        zFract="0.25068115"/>
                  <atom elementType="Cu"
                        id="a58"
                        x3="11.39988"
                        xFract="0.8195828"
                        y3="5.0851"
                        yFract="0.56688561"
                        z3="6.18304"
                        zFract="0.25014064"/>
                  <atom elementType="Cu"
                        id="a59"
                        x3="10.08975"
                        xFract="0.56767928"
                        y3="7.34078"
                        yFract="0.81834823"
                        z3="6.1616"
                        zFract="0.24914291"/>
                  <atom elementType="Cu"
                        id="a60"
                        x3="12.6745"
                        xFract="0.81833147"
                        y3="7.3264"
                        yFract="0.81674515"
                        z3="6.30726"
                        zFract="0.24857641"/>
                  <atom elementType="Cu"
                        id="a61"
                        x3="9.97399"
                        xFract="0.64456007"
                        y3="5.75481"
                        yFract="0.64154471"
                        z3="8.20251"
                        zFract="0.34835375"/>
                  <atom elementType="Cu"
                        id="a62"
                        x3="12.58631"
                        xFract="0.89601812"
                        y3="5.77391"
                        yFract="0.64367397"
                        z3="8.38278"
                        zFract="0.34928363"/>
                  <atom elementType="Cu"
                        id="a63"
                        x3="11.26887"
                        xFract="0.6424856"
                        y3="8.0462"
                        yFract="0.89698826"
                        z3="8.36362"
                        zFract="0.34838676"/>
                  <atom elementType="Cu"
                        id="a64"
                        x3="13.85997"
                        xFract="0.89407758"
                        y3="8.02595"
                        yFract="0.8947308"
                        z3="8.43758"
                        zFract="0.34443111"/>
                  <atom elementType="Br"
                        id="a65"
                        x3="4.0830"
                        xFract="0.14314533"
                        y3="4.52964"
                        yFract="0.50496308"
                        z3="9.88254"
                        zFract="0.44661117"/>
                  <atom elementType="Br"
                        id="a66"
                        x3="7.21931"
                        xFract="0.29968092"
                        y3="7.17022"
                        yFract="0.79933424"
                        z3="10.12308"
                        zFract="0.44449261"/>
                  <atom elementType="Br"
                        id="a67"
                        x3="7.4004"
                        xFract="0.5714712"
                        y3="2.59107"
                        yFract="0.2888518"
                        z3="10.00353"
                        zFract="0.44598103"/>
                  <atom elementType="Br"
                        id="a68"
                        x3="11.23815"
                        xFract="0.97486902"
                        y3="2.00719"
                        yFract="0.22376101"
                        z3="10.1789"
                        zFract="0.44415092"/>
                  <atom elementType="Br"
                        id="a69"
                        x3="11.0950"
                        xFract="0.7102813"
                        y3="6.52268"
                        yFract="0.72714665"
                        z3="10.35708"
                        zFract="0.44542373"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a5" order="S"/>
                  <bond atomRefs2="a1 a3" order="S"/>
                  <bond atomRefs2="a1 a2" order="S"/>
                  <bond atomRefs2="a2 a4" order="S"/>
                  <bond atomRefs2="a2 a17" order="S"/>
                  <bond atomRefs2="a2 a6" order="S"/>
                  <bond atomRefs2="a2 a5" order="S"/>
                  <bond atomRefs2="a2 a3" order="S"/>
                  <bond atomRefs2="a3 a33" order="S"/>
                  <bond atomRefs2="a3 a4" order="S"/>
                  <bond atomRefs2="a3 a5" order="S"/>
                  <bond atomRefs2="a3 a7" order="S"/>
                  <bond atomRefs2="a4 a33" order="S"/>
                  <bond atomRefs2="a4 a19" order="S"/>
                  <bond atomRefs2="a4 a8" order="S"/>
                  <bond atomRefs2="a4 a17" order="S"/>
                  <bond atomRefs2="a4 a6" order="S"/>
                  <bond atomRefs2="a4 a7" order="S"/>
                  <bond atomRefs2="a4 a34" order="S"/>
                  <bond atomRefs2="a5 a12" order="S"/>
                  <bond atomRefs2="a5 a7" order="S"/>
                  <bond atomRefs2="a5 a11" order="S"/>
                  <bond atomRefs2="a5 a10" order="S"/>
                  <bond atomRefs2="a5 a6" order="S"/>
                  <bond atomRefs2="a6 a17" order="S"/>
                  <bond atomRefs2="a6 a25" order="S"/>
                  <bond atomRefs2="a6 a21" order="S"/>
                  <bond atomRefs2="a6 a8" order="S"/>
                  <bond atomRefs2="a6 a26" order="S"/>
                  <bond atomRefs2="a6 a12" order="S"/>
                  <bond atomRefs2="a6 a7" order="S"/>
                  <bond atomRefs2="a7 a33" order="S"/>
                  <bond atomRefs2="a7 a12" order="S"/>
                  <bond atomRefs2="a7 a41" order="S"/>
                  <bond atomRefs2="a7 a43" order="S"/>
                  <bond atomRefs2="a7 a8" order="S"/>
                  <bond atomRefs2="a7 a37" order="S"/>
                  <bond atomRefs2="a8 a19" order="S"/>
                  <bond atomRefs2="a8 a21" order="S"/>
                  <bond atomRefs2="a8 a26" order="S"/>
                  <bond atomRefs2="a8 a43" order="S"/>
                  <bond atomRefs2="a8 a34" order="S"/>
                  <bond atomRefs2="a8 a38" order="S"/>
                  <bond atomRefs2="a8 a37" order="S"/>
                  <bond atomRefs2="a8 a57" order="S"/>
                  <bond atomRefs2="a8 a23" order="S"/>
                  <bond atomRefs2="a9 a10" order="S"/>
                  <bond atomRefs2="a9 a11" order="S"/>
                  <bond atomRefs2="a9 a13" order="S"/>
                  <bond atomRefs2="a10 a12" order="S"/>
                  <bond atomRefs2="a10 a11" order="S"/>
                  <bond atomRefs2="a10 a41" order="S"/>
                  <bond atomRefs2="a10 a14" order="S"/>
                  <bond atomRefs2="a10 a13" order="S"/>
                  <bond atomRefs2="a11 a12" order="S"/>
                  <bond atomRefs2="a11 a15" order="S"/>
                  <bond atomRefs2="a11 a13" order="S"/>
                  <bond atomRefs2="a11 a25" order="S"/>
                  <bond atomRefs2="a12 a41" order="S"/>
                  <bond atomRefs2="a12 a15" order="S"/>
                  <bond atomRefs2="a12 a14" order="S"/>
                  <bond atomRefs2="a12 a16" order="S"/>
                  <bond atomRefs2="a12 a43" order="S"/>
                  <bond atomRefs2="a12 a25" order="S"/>
                  <bond atomRefs2="a12 a26" order="S"/>
                  <bond atomRefs2="a13 a15" order="S"/>
                  <bond atomRefs2="a13 a14" order="S"/>
                  <bond atomRefs2="a14 a41" order="S"/>
                  <bond atomRefs2="a14 a15" order="S"/>
                  <bond atomRefs2="a14 a16" order="S"/>
                  <bond atomRefs2="a14 a45" order="S"/>
                  <bond atomRefs2="a15 a16" order="S"/>
                  <bond atomRefs2="a15 a29" order="S"/>
                  <bond atomRefs2="a15 a65" order="S"/>
                  <bond atomRefs2="a15 a25" order="S"/>
                  <bond atomRefs2="a16 a67" order="S"/>
                  <bond atomRefs2="a16 a43" order="S"/>
                  <bond atomRefs2="a16 a45" order="S"/>
                  <bond atomRefs2="a16 a26" order="S"/>
                  <bond atomRefs2="a16 a29" order="S"/>
                  <bond atomRefs2="a16 a30" order="S"/>
                  <bond atomRefs2="a16 a47" order="S"/>
                  <bond atomRefs2="a17 a18" order="S"/>
                  <bond atomRefs2="a17 a21" order="S"/>
                  <bond atomRefs2="a17 a19" order="S"/>
                  <bond atomRefs2="a18 a19" order="S"/>
                  <bond atomRefs2="a18 a22" order="S"/>
                  <bond atomRefs2="a18 a21" order="S"/>
                  <bond atomRefs2="a18 a20" order="S"/>
                  <bond atomRefs2="a19 a21" order="S"/>
                  <bond atomRefs2="a19 a49" order="S"/>
                  <bond atomRefs2="a19 a20" order="S"/>
                  <bond atomRefs2="a19 a23" order="S"/>
                  <bond atomRefs2="a19 a34" order="S"/>
                  <bond atomRefs2="a20 a49" order="S"/>
                  <bond atomRefs2="a20 a50" order="S"/>
                  <bond atomRefs2="a20 a24" order="S"/>
                  <bond atomRefs2="a20 a23" order="S"/>
                  <bond atomRefs2="a20 a22" order="S"/>
                  <bond atomRefs2="a21 a27" order="S"/>
                  <bond atomRefs2="a21 a22" order="S"/>
                  <bond atomRefs2="a21 a26" order="S"/>
                  <bond atomRefs2="a21 a28" order="S"/>
                  <bond atomRefs2="a21 a23" order="S"/>
                  <bond atomRefs2="a22 a28" order="S"/>
                  <bond atomRefs2="a22 a24" order="S"/>
                  <bond atomRefs2="a22 a23" order="S"/>
                  <bond atomRefs2="a23 a49" order="S"/>
                  <bond atomRefs2="a23 a53" order="S"/>
                  <bond atomRefs2="a23 a24" order="S"/>
                  <bond atomRefs2="a23 a59" order="S"/>
                  <bond atomRefs2="a23 a38" order="S"/>
                  <bond atomRefs2="a23 a57" order="S"/>
                  <bond atomRefs2="a23 a28" order="S"/>
                  <bond atomRefs2="a24 a54" order="S"/>
                  <bond atomRefs2="a24 a50" order="S"/>
                  <bond atomRefs2="a24 a53" order="S"/>
                  <bond atomRefs2="a24 a59" order="S"/>
                  <bond atomRefs2="a25 a27" order="S"/>
                  <bond atomRefs2="a25 a26" order="S"/>
                  <bond atomRefs2="a25 a29" order="S"/>
                  <bond atomRefs2="a26 a27" order="S"/>
                  <bond atomRefs2="a26 a30" order="S"/>
                  <bond atomRefs2="a26 a28" order="S"/>
                  <bond atomRefs2="a26 a29" order="S"/>
                  <bond atomRefs2="a26 a43" order="S"/>
                  <bond atomRefs2="a26 a57" order="S"/>
                  <bond atomRefs2="a27 a29" order="S"/>
                  <bond atomRefs2="a27 a31" order="S"/>
                  <bond atomRefs2="a27 a28" order="S"/>
                  <bond atomRefs2="a28 a30" order="S"/>
                  <bond atomRefs2="a28 a31" order="S"/>
                  <bond atomRefs2="a28 a59" order="S"/>
                  <bond atomRefs2="a28 a32" order="S"/>
                  <bond atomRefs2="a28 a57" order="S"/>
                  <bond atomRefs2="a29 a31" order="S"/>
                  <bond atomRefs2="a29 a65" order="S"/>
                  <bond atomRefs2="a29 a30" order="S"/>
                  <bond atomRefs2="a30 a66" order="S"/>
                  <bond atomRefs2="a30 a31" order="S"/>
                  <bond atomRefs2="a30 a57" order="S"/>
                  <bond atomRefs2="a30 a61" order="S"/>
                  <bond atomRefs2="a30 a47" order="S"/>
                  <bond atomRefs2="a30 a32" order="S"/>
                  <bond atomRefs2="a31 a66" order="S"/>
                  <bond atomRefs2="a31 a32" order="S"/>
                  <bond atomRefs2="a32 a63" order="S"/>
                  <bond atomRefs2="a32 a59" order="S"/>
                  <bond atomRefs2="a32 a61" order="S"/>
                  <bond atomRefs2="a32 a66" order="S"/>
                  <bond atomRefs2="a33 a35" order="S"/>
                  <bond atomRefs2="a33 a34" order="S"/>
                  <bond atomRefs2="a33 a37" order="S"/>
                  <bond atomRefs2="a34 a49" order="S"/>
                  <bond atomRefs2="a34 a35" order="S"/>
                  <bond atomRefs2="a34 a38" order="S"/>
                  <bond atomRefs2="a34 a37" order="S"/>
                  <bond atomRefs2="a34 a36" order="S"/>
                  <bond atomRefs2="a35 a36" order="S"/>
                  <bond atomRefs2="a35 a39" order="S"/>
                  <bond atomRefs2="a35 a37" order="S"/>
                  <bond atomRefs2="a36 a49" order="S"/>
                  <bond atomRefs2="a36 a40" order="S"/>
                  <bond atomRefs2="a36 a39" order="S"/>
                  <bond atomRefs2="a36 a38" order="S"/>
                  <bond atomRefs2="a36 a51" order="S"/>
                  <bond atomRefs2="a37 a44" order="S"/>
                  <bond atomRefs2="a37 a42" order="S"/>
                  <bond atomRefs2="a37 a38" order="S"/>
                  <bond atomRefs2="a37 a39" order="S"/>
                  <bond atomRefs2="a37 a43" order="S"/>
                  <bond atomRefs2="a38 a49" order="S"/>
                  <bond atomRefs2="a38 a44" order="S"/>
                  <bond atomRefs2="a38 a40" order="S"/>
                  <bond atomRefs2="a38 a39" order="S"/>
                  <bond atomRefs2="a38 a57" order="S"/>
                  <bond atomRefs2="a38 a58" order="S"/>
                  <bond atomRefs2="a38 a53" order="S"/>
                  <bond atomRefs2="a39 a44" order="S"/>
                  <bond atomRefs2="a39 a40" order="S"/>
                  <bond atomRefs2="a40 a58" order="S"/>
                  <bond atomRefs2="a40 a55" order="S"/>
                  <bond atomRefs2="a40 a51" order="S"/>
                  <bond atomRefs2="a40 a53" order="S"/>
                  <bond atomRefs2="a41 a45" order="S"/>
                  <bond atomRefs2="a41 a43" order="S"/>
                  <bond atomRefs2="a41 a42" order="S"/>
                  <bond atomRefs2="a42 a44" order="S"/>
                  <bond atomRefs2="a42 a46" order="S"/>
                  <bond atomRefs2="a42 a45" order="S"/>
                  <bond atomRefs2="a42 a43" order="S"/>
                  <bond atomRefs2="a43 a45" order="S"/>
                  <bond atomRefs2="a43 a44" order="S"/>
                  <bond atomRefs2="a43 a57" order="S"/>
                  <bond atomRefs2="a43 a47" order="S"/>
                  <bond atomRefs2="a44 a57" order="S"/>
                  <bond atomRefs2="a44 a46" order="S"/>
                  <bond atomRefs2="a44 a47" order="S"/>
                  <bond atomRefs2="a44 a58" order="S"/>
                  <bond atomRefs2="a44 a48" order="S"/>
                  <bond atomRefs2="a45 a67" order="S"/>
                  <bond atomRefs2="a45 a46" order="S"/>
                  <bond atomRefs2="a45 a47" order="S"/>
                  <bond atomRefs2="a46 a68" order="S"/>
                  <bond atomRefs2="a46 a47" order="S"/>
                  <bond atomRefs2="a46 a48" order="S"/>
                  <bond atomRefs2="a47 a57" order="S"/>
                  <bond atomRefs2="a47 a61" order="S"/>
                  <bond atomRefs2="a47 a48" order="S"/>
                  <bond atomRefs2="a47 a67" order="S"/>
                  <bond atomRefs2="a48 a68" order="S"/>
                  <bond atomRefs2="a48 a58" order="S"/>
                  <bond atomRefs2="a48 a62" order="S"/>
                  <bond atomRefs2="a48 a61" order="S"/>
                  <bond atomRefs2="a49 a50" order="S"/>
                  <bond atomRefs2="a49 a53" order="S"/>
                  <bond atomRefs2="a49 a51" order="S"/>
                  <bond atomRefs2="a50 a54" order="S"/>
                  <bond atomRefs2="a50 a52" order="S"/>
                  <bond atomRefs2="a50 a51" order="S"/>
                  <bond atomRefs2="a50 a53" order="S"/>
                  <bond atomRefs2="a51 a55" order="S"/>
                  <bond atomRefs2="a51 a52" order="S"/>
                  <bond atomRefs2="a51 a53" order="S"/>
                  <bond atomRefs2="a52 a54" order="S"/>
                  <bond atomRefs2="a52 a55" order="S"/>
                  <bond atomRefs2="a52 a56" order="S"/>
                  <bond atomRefs2="a53 a54" order="S"/>
                  <bond atomRefs2="a53 a55" order="S"/>
                  <bond atomRefs2="a53 a60" order="S"/>
                  <bond atomRefs2="a53 a59" order="S"/>
                  <bond atomRefs2="a53 a58" order="S"/>
                  <bond atomRefs2="a54 a56" order="S"/>
                  <bond atomRefs2="a54 a60" order="S"/>
                  <bond atomRefs2="a54 a55" order="S"/>
                  <bond atomRefs2="a55 a60" order="S"/>
                  <bond atomRefs2="a55 a56" order="S"/>
                  <bond atomRefs2="a57 a61" order="S"/>
                  <bond atomRefs2="a57 a58" order="S"/>
                  <bond atomRefs2="a57 a59" order="S"/>
                  <bond atomRefs2="a58 a62" order="S"/>
                  <bond atomRefs2="a58 a61" order="S"/>
                  <bond atomRefs2="a58 a60" order="S"/>
                  <bond atomRefs2="a58 a59" order="S"/>
                  <bond atomRefs2="a59 a63" order="S"/>
                  <bond atomRefs2="a59 a60" order="S"/>
                  <bond atomRefs2="a59 a61" order="S"/>
                  <bond atomRefs2="a60 a63" order="S"/>
                  <bond atomRefs2="a60 a64" order="S"/>
                  <bond atomRefs2="a60 a62" order="S"/>
                  <bond atomRefs2="a61 a62" order="S"/>
                  <bond atomRefs2="a61 a63" order="S"/>
                  <bond atomRefs2="a61 a69" order="S"/>
                  <bond atomRefs2="a62 a63" order="S"/>
                  <bond atomRefs2="a62 a64" order="S"/>
                  <bond atomRefs2="a62 a69" order="S"/>
                  <bond atomRefs2="a63 a64" order="S"/>
                  <bond atomRefs2="a63 a69" order="S"/>
               </bondArray>
               <formula concise="Br5Cu64">
                  <atomArray count="5 64" elementType="Br Cu"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">4466.463999999996</scalar>
               </property>
            </molecule>
         </module>
      </module>
   </module>
</module>
