<?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">2025-08-17T12:02:21.000</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="1.08188347"
                        xFract="0.06983344"
                        y3="0.62570904"
                        yFract="0.06975388"
                        z3="5.38580248"
                        zFract="0.24977159"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="2.35905941"
                        xFract="0.06966398"
                        y3="2.85197586"
                        yFract="0.31793752"
                        z3="5.53822241"
                        zFract="0.24955471"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="3.64831026"
                        xFract="0.31800097"
                        y3="0.62417684"
                        yFract="0.06958307"
                        z3="5.5380156"
                        zFract="0.24954548"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="4.9261539"
                        xFract="0.31788236"
                        y3="2.85069024"
                        yFract="0.3177942"
                        z3="5.69425653"
                        zFract="0.24950642"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="2.18429103"
                        xFract="0.14098886"
                        y3="1.26333882"
                        yFract="0.14083668"
                        z3="7.5934181"
                        zFract="0.34961384"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="3.51556589"
                        xFract="0.14086875"
                        y3="3.58288842"
                        yFract="0.39941946"
                        z3="7.75611396"
                        zFract="0.34956957"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="4.86047851"
                        xFract="0.39978652"
                        y3="1.2614435"
                        yFract="0.14062539"
                        z3="7.7551666"
                        zFract="0.34952121"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="6.13978058"
                        xFract="0.39619995"
                        y3="3.55294638"
                        yFract="0.39608153"
                        z3="7.83602295"
                        zFract="0.34581505"/>
                  <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="3.63731481"
                        xFract="0.06962418"
                        y3="5.07778681"
                        yFract="0.56607034"
                        z3="5.69991461"
                        zFract="0.24977266"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="4.92420229"
                        xFract="0.06810616"
                        y3="7.34524353"
                        yFract="0.81884582"
                        z3="5.82198104"
                        zFract="0.24802781"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="6.22211648"
                        xFract="0.31817126"
                        y3="5.10140536"
                        yFract="0.56870333"
                        z3="5.82803517"
                        zFract="0.24831557"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="7.51031802"
                        xFract="0.31823604"
                        y3="7.34264655"
                        yFract="0.81855631"
                        z3="5.98641365"
                        zFract="0.24832281"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="4.81362235"
                        xFract="0.14364741"
                        y3="5.792413"
                        yFract="0.64573668"
                        z3="7.85535654"
                        zFract="0.34681311"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="6.08532039"
                        xFract="0.14372287"
                        y3="8.00473378"
                        yFract="0.89236562"
                        z3="8.01048386"
                        zFract="0.34676298"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="7.39149117"
                        xFract="0.39383594"
                        y3="5.77440425"
                        yFract="0.64372907"
                        z3="8.02262002"
                        zFract="0.34729112"/>
                  <atom elementType="Cu"
                        id="a32"
                        x3="8.68164716"
                        xFract="0.39611831"
                        y3="7.97911343"
                        yFract="0.88950947"
                        z3="8.14909743"
                        zFract="0.34584961"/>
                  <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="6.21552342"
                        xFract="0.5661846"
                        y3="0.62372357"
                        yFract="0.06953254"
                        z3="5.69937325"
                        zFract="0.24974646"/>
                  <atom elementType="Cu"
                        id="a42"
                        x3="7.52327172"
                        xFract="0.56877701"
                        y3="2.85347299"
                        yFract="0.31810442"
                        z3="5.82805159"
                        zFract="0.24831614"/>
                  <atom elementType="Cu"
                        id="a43"
                        x3="8.82273515"
                        xFract="0.81896823"
                        y3="0.61006046"
                        yFract="0.06800938"
                        z3="5.82185113"
                        zFract="0.24802092"/>
                  <atom elementType="Cu"
                        id="a44"
                        x3="10.10821358"
                        xFract="0.81861886"
                        y3="2.85401946"
                        yFract="0.31816534"
                        z3="5.98643882"
                        zFract="0.24832424"/>
                  <atom elementType="Cu"
                        id="a45"
                        x3="7.42211918"
                        xFract="0.64596129"
                        y3="1.28746545"
                        yFract="0.14352631"
                        z3="7.85506534"
                        zFract="0.34679629"/>
                  <atom elementType="Cu"
                        id="a46"
                        x3="8.68981992"
                        xFract="0.6438715"
                        y3="3.53181967"
                        yFract="0.39372633"
                        z3="8.02259838"
                        zFract="0.34728912"/>
                  <atom elementType="Cu"
                        id="a47"
                        x3="9.9730807"
                        xFract="0.89251724"
                        y3="1.28803362"
                        yFract="0.14358965"
                        z3="8.01066581"
                        zFract="0.34677101"/>
                  <atom elementType="Cu"
                        id="a48"
                        x3="11.24441913"
                        xFract="0.88971929"
                        y3="3.55147257"
                        yFract="0.39591723"
                        z3="8.14955493"
                        zFract="0.34587092"/>
                  <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="8.80984556"
                        xFract="0.56846497"
                        y3="5.09866657"
                        yFract="0.56839801"
                        z3="5.99385271"
                        zFract="0.24867145"/>
                  <atom elementType="Cu"
                        id="a58"
                        x3="10.10195748"
                        xFract="0.56875742"
                        y3="7.3426148"
                        yFract="0.81855277"
                        z3="6.14460365"
                        zFract="0.24830325"/>
                  <atom elementType="Cu"
                        id="a59"
                        x3="11.39906641"
                        xFract="0.81862768"
                        y3="5.10088356"
                        yFract="0.56864516"
                        z3="6.14469326"
                        zFract="0.24830859"/>
                  <atom elementType="Cu"
                        id="a60"
                        x3="12.6895473"
                        xFract="0.81881371"
                        y3="7.34390903"
                        yFract="0.81869705"
                        z3="6.29726909"
                        zFract="0.24803268"/>
                  <atom elementType="Cu"
                        id="a61"
                        x3="9.97595005"
                        xFract="0.64373148"
                        y3="5.77314313"
                        yFract="0.64358848"
                        z3="8.18058642"
                        zFract="0.34728379"/>
                  <atom elementType="Cu"
                        id="a62"
                        x3="11.27626289"
                        xFract="0.64565441"
                        y3="8.00200539"
                        yFract="0.89206146"
                        z3="8.32912904"
                        zFract="0.346813"/>
                  <atom elementType="Cu"
                        id="a63"
                        x3="12.55641648"
                        xFract="0.89225614"
                        y3="5.78961895"
                        yFract="0.6454252"
                        z3="8.32911121"
                        zFract="0.34681319"/>
                  <atom elementType="Cu"
                        id="a64"
                        x3="13.85253991"
                        xFract="0.89387969"
                        y3="8.01657979"
                        yFract="0.89368621"
                        z3="8.49028482"
                        zFract="0.34695321"/>
                  <atom elementType="Cl"
                        id="a65"
                        x3="3.41080919"
                        xFract="0.22051093"
                        y3="1.96634532"
                        yFract="0.21920766"
                        z3="9.57100519"
                        zFract="0.43814303"/>
                  <atom elementType="H"
                        id="a66"
                        x3="6.22211914"
                        xFract="0.49664518"
                        y3="1.88746542"
                        yFract="0.21041415"
                        z3="8.85506536"
                        zFract="0.39640643"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a5" order="S"/>
                  <bond atomRefs2="a1 a3" order="S"/>
                  <bond atomRefs2="a1 a2" order="S"/>
                  <bond atomRefs2="a2 a17" order="S"/>
                  <bond atomRefs2="a2 a6" order="S"/>
                  <bond atomRefs2="a2 a4" 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 a8" order="S"/>
                  <bond atomRefs2="a4 a19" 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 a12" order="S"/>
                  <bond atomRefs2="a5 a10" order="S"/>
                  <bond atomRefs2="a5 a11" order="S"/>
                  <bond atomRefs2="a5 a6" order="S"/>
                  <bond atomRefs2="a6 a17" order="S"/>
                  <bond atomRefs2="a6 a21" order="S"/>
                  <bond atomRefs2="a6 a8" order="S"/>
                  <bond atomRefs2="a6 a25" order="S"/>
                  <bond atomRefs2="a6 a27" 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 a42" 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 a27" order="S"/>
                  <bond atomRefs2="a8 a42" 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 a11" order="S"/>
                  <bond atomRefs2="a9 a10" order="S"/>
                  <bond atomRefs2="a9 a13" order="S"/>
                  <bond atomRefs2="a10 a14" order="S"/>
                  <bond atomRefs2="a10 a11" order="S"/>
                  <bond atomRefs2="a10 a12" order="S"/>
                  <bond atomRefs2="a10 a13" order="S"/>
                  <bond atomRefs2="a10 a25" order="S"/>
                  <bond atomRefs2="a11 a41" order="S"/>
                  <bond atomRefs2="a11 a12" order="S"/>
                  <bond atomRefs2="a11 a13" order="S"/>
                  <bond atomRefs2="a11 a15" order="S"/>
                  <bond atomRefs2="a12 a14" order="S"/>
                  <bond atomRefs2="a12 a41" order="S"/>
                  <bond atomRefs2="a12 a16" order="S"/>
                  <bond atomRefs2="a12 a15" order="S"/>
                  <bond atomRefs2="a12 a42" order="S"/>
                  <bond atomRefs2="a12 a25" order="S"/>
                  <bond atomRefs2="a12 a27" order="S"/>
                  <bond atomRefs2="a13 a14" order="S"/>
                  <bond atomRefs2="a13 a65" order="S"/>
                  <bond atomRefs2="a13 a15" order="S"/>
                  <bond atomRefs2="a14 a29" order="S"/>
                  <bond atomRefs2="a14 a25" order="S"/>
                  <bond atomRefs2="a14 a16" order="S"/>
                  <bond atomRefs2="a14 a65" order="S"/>
                  <bond atomRefs2="a14 a15" order="S"/>
                  <bond atomRefs2="a15 a41" order="S"/>
                  <bond atomRefs2="a15 a16" order="S"/>
                  <bond atomRefs2="a15 a65" order="S"/>
                  <bond atomRefs2="a15 a45" order="S"/>
                  <bond atomRefs2="a16 a42" order="S"/>
                  <bond atomRefs2="a16 a45" order="S"/>
                  <bond atomRefs2="a16 a31" order="S"/>
                  <bond atomRefs2="a16 a27" order="S"/>
                  <bond atomRefs2="a16 a29" order="S"/>
                  <bond atomRefs2="a16 a46" order="S"/>
                  <bond atomRefs2="a17 a18" order="S"/>
                  <bond atomRefs2="a17 a21" order="S"/>
                  <bond atomRefs2="a17 a19" order="S"/>
                  <bond atomRefs2="a18 a22" order="S"/>
                  <bond atomRefs2="a18 a19" 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 a24" order="S"/>
                  <bond atomRefs2="a20 a23" order="S"/>
                  <bond atomRefs2="a20 a50" order="S"/>
                  <bond atomRefs2="a20 a22" order="S"/>
                  <bond atomRefs2="a21 a22" order="S"/>
                  <bond atomRefs2="a21 a28" order="S"/>
                  <bond atomRefs2="a21 a27" 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 a58" order="S"/>
                  <bond atomRefs2="a23 a38" order="S"/>
                  <bond atomRefs2="a23 a57" order="S"/>
                  <bond atomRefs2="a23 a28" order="S"/>
                  <bond atomRefs2="a24 a53" order="S"/>
                  <bond atomRefs2="a24 a50" order="S"/>
                  <bond atomRefs2="a24 a58" order="S"/>
                  <bond atomRefs2="a24 a54" order="S"/>
                  <bond atomRefs2="a25 a29" order="S"/>
                  <bond atomRefs2="a25 a26" order="S"/>
                  <bond atomRefs2="a25 a27" order="S"/>
                  <bond atomRefs2="a26 a30" order="S"/>
                  <bond atomRefs2="a26 a29" order="S"/>
                  <bond atomRefs2="a26 a28" order="S"/>
                  <bond atomRefs2="a26 a27" order="S"/>
                  <bond atomRefs2="a27 a31" order="S"/>
                  <bond atomRefs2="a27 a28" order="S"/>
                  <bond atomRefs2="a27 a29" order="S"/>
                  <bond atomRefs2="a27 a42" order="S"/>
                  <bond atomRefs2="a27 a57" order="S"/>
                  <bond atomRefs2="a28 a30" order="S"/>
                  <bond atomRefs2="a28 a31" order="S"/>
                  <bond atomRefs2="a28 a32" order="S"/>
                  <bond atomRefs2="a28 a58" order="S"/>
                  <bond atomRefs2="a28 a57" order="S"/>
                  <bond atomRefs2="a29 a30" order="S"/>
                  <bond atomRefs2="a29 a31" order="S"/>
                  <bond atomRefs2="a30 a31" order="S"/>
                  <bond atomRefs2="a30 a32" order="S"/>
                  <bond atomRefs2="a31 a61" order="S"/>
                  <bond atomRefs2="a31 a46" order="S"/>
                  <bond atomRefs2="a31 a57" order="S"/>
                  <bond atomRefs2="a31 a32" order="S"/>
                  <bond atomRefs2="a32 a62" order="S"/>
                  <bond atomRefs2="a32 a58" 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 a43" order="S"/>
                  <bond atomRefs2="a37 a38" order="S"/>
                  <bond atomRefs2="a37 a39" order="S"/>
                  <bond atomRefs2="a37 a42" 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 a59" order="S"/>
                  <bond atomRefs2="a38 a57" order="S"/>
                  <bond atomRefs2="a38 a53" order="S"/>
                  <bond atomRefs2="a39 a44" order="S"/>
                  <bond atomRefs2="a39 a40" order="S"/>
                  <bond atomRefs2="a40 a59" order="S"/>
                  <bond atomRefs2="a40 a55" order="S"/>
                  <bond atomRefs2="a40 a53" order="S"/>
                  <bond atomRefs2="a40 a51" order="S"/>
                  <bond atomRefs2="a41 a45" order="S"/>
                  <bond atomRefs2="a41 a42" order="S"/>
                  <bond atomRefs2="a41 a43" order="S"/>
                  <bond atomRefs2="a42 a45" order="S"/>
                  <bond atomRefs2="a42 a44" order="S"/>
                  <bond atomRefs2="a42 a43" order="S"/>
                  <bond atomRefs2="a42 a46" order="S"/>
                  <bond atomRefs2="a42 a57" order="S"/>
                  <bond atomRefs2="a43 a44" order="S"/>
                  <bond atomRefs2="a43 a47" order="S"/>
                  <bond atomRefs2="a43 a45" order="S"/>
                  <bond atomRefs2="a44 a59" order="S"/>
                  <bond atomRefs2="a44 a48" order="S"/>
                  <bond atomRefs2="a44 a46" order="S"/>
                  <bond atomRefs2="a44 a47" order="S"/>
                  <bond atomRefs2="a44 a57" order="S"/>
                  <bond atomRefs2="a45 a66" order="S"/>
                  <bond atomRefs2="a45 a46" order="S"/>
                  <bond atomRefs2="a45 a47" order="S"/>
                  <bond atomRefs2="a46 a61" order="S"/>
                  <bond atomRefs2="a46 a57" order="S"/>
                  <bond atomRefs2="a46 a47" order="S"/>
                  <bond atomRefs2="a46 a48" order="S"/>
                  <bond atomRefs2="a47 a48" order="S"/>
                  <bond atomRefs2="a48 a61" order="S"/>
                  <bond atomRefs2="a48 a59" order="S"/>
                  <bond atomRefs2="a48 a63" order="S"/>
                  <bond atomRefs2="a49 a53" order="S"/>
                  <bond atomRefs2="a49 a50" order="S"/>
                  <bond atomRefs2="a49 a51" order="S"/>
                  <bond atomRefs2="a50 a53" order="S"/>
                  <bond atomRefs2="a50 a52" order="S"/>
                  <bond atomRefs2="a50 a51" order="S"/>
                  <bond atomRefs2="a50 a54" order="S"/>
                  <bond atomRefs2="a51 a55" order="S"/>
                  <bond atomRefs2="a51 a53" order="S"/>
                  <bond atomRefs2="a51 a52" order="S"/>
                  <bond atomRefs2="a52 a55" order="S"/>
                  <bond atomRefs2="a52 a54" order="S"/>
                  <bond atomRefs2="a52 a56" order="S"/>
                  <bond atomRefs2="a53 a55" order="S"/>
                  <bond atomRefs2="a53 a60" order="S"/>
                  <bond atomRefs2="a53 a58" order="S"/>
                  <bond atomRefs2="a53 a54" order="S"/>
                  <bond atomRefs2="a53 a59" order="S"/>
                  <bond atomRefs2="a54 a55" order="S"/>
                  <bond atomRefs2="a54 a60" order="S"/>
                  <bond atomRefs2="a54 a56" order="S"/>
                  <bond atomRefs2="a55 a60" order="S"/>
                  <bond atomRefs2="a55 a56" order="S"/>
                  <bond atomRefs2="a57 a61" order="S"/>
                  <bond atomRefs2="a57 a59" order="S"/>
                  <bond atomRefs2="a57 a58" order="S"/>
                  <bond atomRefs2="a58 a60" order="S"/>
                  <bond atomRefs2="a58 a62" order="S"/>
                  <bond atomRefs2="a58 a61" order="S"/>
                  <bond atomRefs2="a58 a59" order="S"/>
                  <bond atomRefs2="a59 a61" order="S"/>
                  <bond atomRefs2="a59 a63" order="S"/>
                  <bond atomRefs2="a59 a60" order="S"/>
                  <bond atomRefs2="a60 a64" order="S"/>
                  <bond atomRefs2="a60 a62" order="S"/>
                  <bond atomRefs2="a60 a63" order="S"/>
                  <bond atomRefs2="a61 a63" order="S"/>
                  <bond atomRefs2="a61 a62" order="S"/>
                  <bond atomRefs2="a62 a64" order="S"/>
                  <bond atomRefs2="a62 a63" order="S"/>
                  <bond atomRefs2="a63 a64" order="S"/>
               </bondArray>
               <formula concise="HClCu64">
                  <atomArray count="1 1 64" elementType="H Cl Cu"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">4102.396999999995</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="1.08188347"
                        xFract="0.06983344"
                        y3="0.62570904"
                        yFract="0.06975388"
                        z3="5.38580248"
                        zFract="0.24977159"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="2.35905941"
                        xFract="0.06966398"
                        y3="2.85197586"
                        yFract="0.31793752"
                        z3="5.53822241"
                        zFract="0.24955471"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="3.64831026"
                        xFract="0.31800097"
                        y3="0.62417684"
                        yFract="0.06958307"
                        z3="5.5380156"
                        zFract="0.24954548"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="4.9261539"
                        xFract="0.31788236"
                        y3="2.85069024"
                        yFract="0.3177942"
                        z3="5.69425653"
                        zFract="0.24950642"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="2.18429103"
                        xFract="0.14098886"
                        y3="1.26333882"
                        yFract="0.14083668"
                        z3="7.5934181"
                        zFract="0.34961384"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="3.51556589"
                        xFract="0.14086875"
                        y3="3.58288842"
                        yFract="0.39941946"
                        z3="7.75611396"
                        zFract="0.34956957"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="4.86047851"
                        xFract="0.39978652"
                        y3="1.2614435"
                        yFract="0.14062539"
                        z3="7.7551666"
                        zFract="0.34952121"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="6.13978058"
                        xFract="0.39619995"
                        y3="3.55294638"
                        yFract="0.39608153"
                        z3="7.83602295"
                        zFract="0.34581505"/>
                  <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="3.63731481"
                        xFract="0.06962418"
                        y3="5.07778681"
                        yFract="0.56607034"
                        z3="5.69991461"
                        zFract="0.24977266"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="4.92420229"
                        xFract="0.06810616"
                        y3="7.34524353"
                        yFract="0.81884582"
                        z3="5.82198104"
                        zFract="0.24802781"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="6.22211648"
                        xFract="0.31817126"
                        y3="5.10140536"
                        yFract="0.56870333"
                        z3="5.82803517"
                        zFract="0.24831557"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="7.51031802"
                        xFract="0.31823604"
                        y3="7.34264655"
                        yFract="0.81855631"
                        z3="5.98641365"
                        zFract="0.24832281"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="4.81362235"
                        xFract="0.14364741"
                        y3="5.792413"
                        yFract="0.64573668"
                        z3="7.85535654"
                        zFract="0.34681311"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="6.08532039"
                        xFract="0.14372287"
                        y3="8.00473378"
                        yFract="0.89236562"
                        z3="8.01048386"
                        zFract="0.34676298"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="7.39149117"
                        xFract="0.39383594"
                        y3="5.77440425"
                        yFract="0.64372907"
                        z3="8.02262002"
                        zFract="0.34729112"/>
                  <atom elementType="Cu"
                        id="a32"
                        x3="8.68164716"
                        xFract="0.39611831"
                        y3="7.97911343"
                        yFract="0.88950947"
                        z3="8.14909743"
                        zFract="0.34584961"/>
                  <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="6.21552342"
                        xFract="0.5661846"
                        y3="0.62372357"
                        yFract="0.06953254"
                        z3="5.69937325"
                        zFract="0.24974646"/>
                  <atom elementType="Cu"
                        id="a42"
                        x3="7.52327172"
                        xFract="0.56877701"
                        y3="2.85347299"
                        yFract="0.31810442"
                        z3="5.82805159"
                        zFract="0.24831614"/>
                  <atom elementType="Cu"
                        id="a43"
                        x3="8.82273515"
                        xFract="0.81896823"
                        y3="0.61006046"
                        yFract="0.06800938"
                        z3="5.82185113"
                        zFract="0.24802092"/>
                  <atom elementType="Cu"
                        id="a44"
                        x3="10.10821358"
                        xFract="0.81861886"
                        y3="2.85401946"
                        yFract="0.31816534"
                        z3="5.98643882"
                        zFract="0.24832424"/>
                  <atom elementType="Cu"
                        id="a45"
                        x3="7.42211918"
                        xFract="0.64596129"
                        y3="1.28746545"
                        yFract="0.14352631"
                        z3="7.85506534"
                        zFract="0.34679629"/>
                  <atom elementType="Cu"
                        id="a46"
                        x3="8.68981992"
                        xFract="0.6438715"
                        y3="3.53181967"
                        yFract="0.39372633"
                        z3="8.02259838"
                        zFract="0.34728912"/>
                  <atom elementType="Cu"
                        id="a47"
                        x3="9.9730807"
                        xFract="0.89251724"
                        y3="1.28803362"
                        yFract="0.14358965"
                        z3="8.01066581"
                        zFract="0.34677101"/>
                  <atom elementType="Cu"
                        id="a48"
                        x3="11.24441913"
                        xFract="0.88971929"
                        y3="3.55147257"
                        yFract="0.39591723"
                        z3="8.14955493"
                        zFract="0.34587092"/>
                  <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="8.80984556"
                        xFract="0.56846497"
                        y3="5.09866657"
                        yFract="0.56839801"
                        z3="5.99385271"
                        zFract="0.24867145"/>
                  <atom elementType="Cu"
                        id="a58"
                        x3="10.10195748"
                        xFract="0.56875742"
                        y3="7.3426148"
                        yFract="0.81855277"
                        z3="6.14460365"
                        zFract="0.24830325"/>
                  <atom elementType="Cu"
                        id="a59"
                        x3="11.39906641"
                        xFract="0.81862768"
                        y3="5.10088356"
                        yFract="0.56864516"
                        z3="6.14469326"
                        zFract="0.24830859"/>
                  <atom elementType="Cu"
                        id="a60"
                        x3="12.6895473"
                        xFract="0.81881371"
                        y3="7.34390903"
                        yFract="0.81869705"
                        z3="6.29726909"
                        zFract="0.24803268"/>
                  <atom elementType="Cu"
                        id="a61"
                        x3="9.97595005"
                        xFract="0.64373148"
                        y3="5.77314313"
                        yFract="0.64358848"
                        z3="8.18058642"
                        zFract="0.34728379"/>
                  <atom elementType="Cu"
                        id="a62"
                        x3="11.27626289"
                        xFract="0.64565441"
                        y3="8.00200539"
                        yFract="0.89206146"
                        z3="8.32912904"
                        zFract="0.346813"/>
                  <atom elementType="Cu"
                        id="a63"
                        x3="12.55641648"
                        xFract="0.89225614"
                        y3="5.78961895"
                        yFract="0.6454252"
                        z3="8.32911121"
                        zFract="0.34681319"/>
                  <atom elementType="Cu"
                        id="a64"
                        x3="13.85253991"
                        xFract="0.89387969"
                        y3="8.01657979"
                        yFract="0.89368621"
                        z3="8.49028482"
                        zFract="0.34695321"/>
                  <atom elementType="Cl"
                        id="a65"
                        x3="3.41080919"
                        xFract="0.22051093"
                        y3="1.96634532"
                        yFract="0.21920766"
                        z3="9.57100519"
                        zFract="0.43814303"/>
                  <atom elementType="H"
                        id="a66"
                        x3="6.22211918"
                        xFract="0.49664518"
                        y3="1.88746544"
                        yFract="0.21041415"
                        z3="8.85506534"
                        zFract="0.39640643"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a5" order="S"/>
                  <bond atomRefs2="a1 a3" order="S"/>
                  <bond atomRefs2="a1 a2" order="S"/>
                  <bond atomRefs2="a2 a17" order="S"/>
                  <bond atomRefs2="a2 a6" order="S"/>
                  <bond atomRefs2="a2 a4" 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 a8" order="S"/>
                  <bond atomRefs2="a4 a19" 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 a12" order="S"/>
                  <bond atomRefs2="a5 a10" order="S"/>
                  <bond atomRefs2="a5 a11" order="S"/>
                  <bond atomRefs2="a5 a6" order="S"/>
                  <bond atomRefs2="a6 a17" order="S"/>
                  <bond atomRefs2="a6 a21" order="S"/>
                  <bond atomRefs2="a6 a8" order="S"/>
                  <bond atomRefs2="a6 a25" order="S"/>
                  <bond atomRefs2="a6 a27" 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 a42" 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 a27" order="S"/>
                  <bond atomRefs2="a8 a42" 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 a11" order="S"/>
                  <bond atomRefs2="a9 a10" order="S"/>
                  <bond atomRefs2="a9 a13" order="S"/>
                  <bond atomRefs2="a10 a14" order="S"/>
                  <bond atomRefs2="a10 a11" order="S"/>
                  <bond atomRefs2="a10 a12" order="S"/>
                  <bond atomRefs2="a10 a13" order="S"/>
                  <bond atomRefs2="a10 a25" order="S"/>
                  <bond atomRefs2="a11 a41" order="S"/>
                  <bond atomRefs2="a11 a12" order="S"/>
                  <bond atomRefs2="a11 a13" order="S"/>
                  <bond atomRefs2="a11 a15" order="S"/>
                  <bond atomRefs2="a12 a14" order="S"/>
                  <bond atomRefs2="a12 a41" order="S"/>
                  <bond atomRefs2="a12 a16" order="S"/>
                  <bond atomRefs2="a12 a15" order="S"/>
                  <bond atomRefs2="a12 a42" order="S"/>
                  <bond atomRefs2="a12 a25" order="S"/>
                  <bond atomRefs2="a12 a27" order="S"/>
                  <bond atomRefs2="a13 a14" order="S"/>
                  <bond atomRefs2="a13 a65" order="S"/>
                  <bond atomRefs2="a13 a15" order="S"/>
                  <bond atomRefs2="a14 a29" order="S"/>
                  <bond atomRefs2="a14 a25" order="S"/>
                  <bond atomRefs2="a14 a16" order="S"/>
                  <bond atomRefs2="a14 a65" order="S"/>
                  <bond atomRefs2="a14 a15" order="S"/>
                  <bond atomRefs2="a15 a41" order="S"/>
                  <bond atomRefs2="a15 a16" order="S"/>
                  <bond atomRefs2="a15 a65" order="S"/>
                  <bond atomRefs2="a15 a45" order="S"/>
                  <bond atomRefs2="a16 a42" order="S"/>
                  <bond atomRefs2="a16 a45" order="S"/>
                  <bond atomRefs2="a16 a31" order="S"/>
                  <bond atomRefs2="a16 a27" order="S"/>
                  <bond atomRefs2="a16 a29" order="S"/>
                  <bond atomRefs2="a16 a46" order="S"/>
                  <bond atomRefs2="a17 a18" order="S"/>
                  <bond atomRefs2="a17 a21" order="S"/>
                  <bond atomRefs2="a17 a19" order="S"/>
                  <bond atomRefs2="a18 a22" order="S"/>
                  <bond atomRefs2="a18 a19" 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 a24" order="S"/>
                  <bond atomRefs2="a20 a23" order="S"/>
                  <bond atomRefs2="a20 a50" order="S"/>
                  <bond atomRefs2="a20 a22" order="S"/>
                  <bond atomRefs2="a21 a22" order="S"/>
                  <bond atomRefs2="a21 a28" order="S"/>
                  <bond atomRefs2="a21 a27" 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 a58" order="S"/>
                  <bond atomRefs2="a23 a38" order="S"/>
                  <bond atomRefs2="a23 a57" order="S"/>
                  <bond atomRefs2="a23 a28" order="S"/>
                  <bond atomRefs2="a24 a53" order="S"/>
                  <bond atomRefs2="a24 a50" order="S"/>
                  <bond atomRefs2="a24 a58" order="S"/>
                  <bond atomRefs2="a24 a54" order="S"/>
                  <bond atomRefs2="a25 a29" order="S"/>
                  <bond atomRefs2="a25 a26" order="S"/>
                  <bond atomRefs2="a25 a27" order="S"/>
                  <bond atomRefs2="a26 a30" order="S"/>
                  <bond atomRefs2="a26 a29" order="S"/>
                  <bond atomRefs2="a26 a28" order="S"/>
                  <bond atomRefs2="a26 a27" order="S"/>
                  <bond atomRefs2="a27 a31" order="S"/>
                  <bond atomRefs2="a27 a28" order="S"/>
                  <bond atomRefs2="a27 a29" order="S"/>
                  <bond atomRefs2="a27 a42" order="S"/>
                  <bond atomRefs2="a27 a57" order="S"/>
                  <bond atomRefs2="a28 a30" order="S"/>
                  <bond atomRefs2="a28 a31" order="S"/>
                  <bond atomRefs2="a28 a32" order="S"/>
                  <bond atomRefs2="a28 a58" order="S"/>
                  <bond atomRefs2="a28 a57" order="S"/>
                  <bond atomRefs2="a29 a30" order="S"/>
                  <bond atomRefs2="a29 a31" order="S"/>
                  <bond atomRefs2="a30 a31" order="S"/>
                  <bond atomRefs2="a30 a32" order="S"/>
                  <bond atomRefs2="a31 a61" order="S"/>
                  <bond atomRefs2="a31 a46" order="S"/>
                  <bond atomRefs2="a31 a57" order="S"/>
                  <bond atomRefs2="a31 a32" order="S"/>
                  <bond atomRefs2="a32 a62" order="S"/>
                  <bond atomRefs2="a32 a58" 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 a43" order="S"/>
                  <bond atomRefs2="a37 a38" order="S"/>
                  <bond atomRefs2="a37 a39" order="S"/>
                  <bond atomRefs2="a37 a42" 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 a59" order="S"/>
                  <bond atomRefs2="a38 a57" order="S"/>
                  <bond atomRefs2="a38 a53" order="S"/>
                  <bond atomRefs2="a39 a44" order="S"/>
                  <bond atomRefs2="a39 a40" order="S"/>
                  <bond atomRefs2="a40 a59" order="S"/>
                  <bond atomRefs2="a40 a55" order="S"/>
                  <bond atomRefs2="a40 a53" order="S"/>
                  <bond atomRefs2="a40 a51" order="S"/>
                  <bond atomRefs2="a41 a45" order="S"/>
                  <bond atomRefs2="a41 a42" order="S"/>
                  <bond atomRefs2="a41 a43" order="S"/>
                  <bond atomRefs2="a42 a45" order="S"/>
                  <bond atomRefs2="a42 a44" order="S"/>
                  <bond atomRefs2="a42 a43" order="S"/>
                  <bond atomRefs2="a42 a46" order="S"/>
                  <bond atomRefs2="a42 a57" order="S"/>
                  <bond atomRefs2="a43 a44" order="S"/>
                  <bond atomRefs2="a43 a47" order="S"/>
                  <bond atomRefs2="a43 a45" order="S"/>
                  <bond atomRefs2="a44 a59" order="S"/>
                  <bond atomRefs2="a44 a48" order="S"/>
                  <bond atomRefs2="a44 a46" order="S"/>
                  <bond atomRefs2="a44 a47" order="S"/>
                  <bond atomRefs2="a44 a57" order="S"/>
                  <bond atomRefs2="a45 a66" order="S"/>
                  <bond atomRefs2="a45 a46" order="S"/>
                  <bond atomRefs2="a45 a47" order="S"/>
                  <bond atomRefs2="a46 a61" order="S"/>
                  <bond atomRefs2="a46 a57" order="S"/>
                  <bond atomRefs2="a46 a47" order="S"/>
                  <bond atomRefs2="a46 a48" order="S"/>
                  <bond atomRefs2="a47 a48" order="S"/>
                  <bond atomRefs2="a48 a61" order="S"/>
                  <bond atomRefs2="a48 a59" order="S"/>
                  <bond atomRefs2="a48 a63" order="S"/>
                  <bond atomRefs2="a49 a53" order="S"/>
                  <bond atomRefs2="a49 a50" order="S"/>
                  <bond atomRefs2="a49 a51" order="S"/>
                  <bond atomRefs2="a50 a53" order="S"/>
                  <bond atomRefs2="a50 a52" order="S"/>
                  <bond atomRefs2="a50 a51" order="S"/>
                  <bond atomRefs2="a50 a54" order="S"/>
                  <bond atomRefs2="a51 a55" order="S"/>
                  <bond atomRefs2="a51 a53" order="S"/>
                  <bond atomRefs2="a51 a52" order="S"/>
                  <bond atomRefs2="a52 a55" order="S"/>
                  <bond atomRefs2="a52 a54" order="S"/>
                  <bond atomRefs2="a52 a56" order="S"/>
                  <bond atomRefs2="a53 a55" order="S"/>
                  <bond atomRefs2="a53 a60" order="S"/>
                  <bond atomRefs2="a53 a58" order="S"/>
                  <bond atomRefs2="a53 a54" order="S"/>
                  <bond atomRefs2="a53 a59" order="S"/>
                  <bond atomRefs2="a54 a55" order="S"/>
                  <bond atomRefs2="a54 a60" order="S"/>
                  <bond atomRefs2="a54 a56" order="S"/>
                  <bond atomRefs2="a55 a60" order="S"/>
                  <bond atomRefs2="a55 a56" order="S"/>
                  <bond atomRefs2="a57 a61" order="S"/>
                  <bond atomRefs2="a57 a59" order="S"/>
                  <bond atomRefs2="a57 a58" order="S"/>
                  <bond atomRefs2="a58 a60" order="S"/>
                  <bond atomRefs2="a58 a62" order="S"/>
                  <bond atomRefs2="a58 a61" order="S"/>
                  <bond atomRefs2="a58 a59" order="S"/>
                  <bond atomRefs2="a59 a61" order="S"/>
                  <bond atomRefs2="a59 a63" order="S"/>
                  <bond atomRefs2="a59 a60" order="S"/>
                  <bond atomRefs2="a60 a64" order="S"/>
                  <bond atomRefs2="a60 a62" order="S"/>
                  <bond atomRefs2="a60 a63" order="S"/>
                  <bond atomRefs2="a61 a63" order="S"/>
                  <bond atomRefs2="a61 a62" order="S"/>
                  <bond atomRefs2="a62 a64" order="S"/>
                  <bond atomRefs2="a62 a63" order="S"/>
                  <bond atomRefs2="a63 a64" order="S"/>
               </bondArray>
               <formula concise="HClCu64">
                  <atomArray count="1 1 64" elementType="H Cl Cu"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">4102.396999999995</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">712.0000</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="3">PAW_PBE Cu 05Jan2001|PAW_PBE Cl 06Sep2000|PAW_PBE H 15Jun2001</array>
                  <array dictRef="cc:atomType" size="3">Cu Cl H</array>
                  <array dataType="xsd:double" dictRef="cc:mass" size="3">63.546 35.453 1.000</array>
                  <array dataType="xsd:double" dictRef="cc:valence" size="3">11.000 7.000 1.000</array>
                  <array dataType="xsd:integer" dictRef="cc:atomcount" size="3">64 1 1</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">-17.1429 -10.1109 -8.9730 -8.4618 -8.2921 -8.2845 -8.2825 -8.2714 -8.2681 -7.9105 -7.3191 -7.2150 -7.2106 -7.1955 -7.1878 -7.1835 -6.7662 -6.5500 -6.3459 -6.2339 -6.2140 -6.2002 -6.1381 -6.1141 -6.0947 -6.0857 -6.0371 -5.9802 -5.9778 -5.9430 -5.9366 -5.9313 -5.9274 -5.9136 -5.9109 -5.8826 -5.8228 -5.8081 -5.7490 -5.7302 -5.7230 -5.7215 -5.7008 -5.6962 -5.6912 -5.6869 -5.6838 -5.6616 -5.6319 -5.6007 -5.5973 -5.5931 -5.5823 -5.5760 -5.5715 -5.5685 -5.5525 -5.5507 -5.5466 -5.5440 -5.5429 -5.5386 -5.5083 -5.4560 -5.4417 -5.3757 -5.2624 -5.2599 -5.2571 -5.2555 -5.2534 -5.2445 -5.2367 -5.2338 -5.2323 -5.2320 -5.2226 -5.2181 -5.2095 -5.2000 -5.1880 -5.1653 -5.1634 -5.1599 -5.1565 -5.1434 -5.1168 -4.9845 -4.9791 -4.9728 -4.9689 -4.9617 -4.9527 -4.9341 -4.9311 -4.9254 -4.9204 -4.9186 -4.9123 -4.8996 -4.8972 -4.8917 -4.8893 -4.8869 -4.8682 -4.8554 -4.8534 -4.8518 -4.8470 -4.8455 -4.8427 -4.7333 -4.7268 -4.7187 -4.7174 -4.7132 -4.7065 -4.7021 -4.6809 -4.6743 -4.6621 -4.6560 -4.6545 -4.6530 -4.6445 -4.6368 -4.5823 -4.5793 -4.5766 -4.5671 -4.5563 -4.5542 -4.5519 -4.5496 -4.5409 -4.5369 -4.5256 -4.5072 -4.5064 -4.4669 -4.4634 -4.4553 -4.4482 -4.4450 -4.4390 -4.4357 -4.4346 -4.4316 -4.4298 -4.4228 -4.3859 -4.3720 -4.3578 -4.3476 -4.3411 -4.3347 -4.3324 -4.3249 -4.3223 -4.3106 -4.3068 -4.3001 -4.2966 -4.2911 -4.2883 -4.2862 -4.2832 -4.2806 -4.2788 -4.2755 -4.2747 -4.2739 -4.2715 -4.2693 -4.2677 -4.2649 -4.2639 -4.2623 -4.2575 -4.2525 -4.2431 -4.2336 -4.2259 -4.2205 -4.2185 -4.2162 -4.2159 -4.2135 -4.2101 -4.2086 -4.2046 -4.2040 -4.2011 -4.1912 -4.1819 -4.1761 -4.1552 -4.1436 -4.1410 -4.1394 -4.1352 -4.1331 -4.1286 -4.0289 -4.0211 -4.0146 -4.0089 -4.0031 -4.0026 -3.9996 -3.9898 -3.9858 -3.9832 -3.9710 -3.9576 -3.9498 -3.9467 -3.9449 -3.9424 -3.9381 -3.9345 -3.9208 -3.9067 -3.9047 -3.9029 -3.8983 -3.8965 -3.8965 -3.8703 -3.8530 -3.8412 -3.8337 -3.8252 -3.8127 -3.7865 -3.7672 -3.7624 -3.7564 -3.7497 -3.7481 -3.7366 -3.7340 -3.7292 -3.7230 -3.7153 -3.7087 -3.7043 -3.6950 -3.6900 -3.6775 -3.6739 -3.6660 -3.6641 -3.6606 -3.6542 -3.6416 -3.6412 -3.6361 -3.6350 -3.6259 -3.6205 -3.6116 -3.6042 -3.6004 -3.5940 -3.5870 -3.5844 -3.5798 -3.5781 -3.5743 -3.5718 -3.5678 -3.5518 -3.5474 -3.5449 -3.5441 -3.5427 -3.5364 -3.5303 -3.5262 -3.5152 -3.5039 -3.5019 -3.4561 -3.4292 -3.4205 -3.4099 -3.3947 -3.3830 -3.3817 -3.3756 -3.3683 -3.3622 -3.3612 -3.3456 -3.3263 -3.3169 -3.3155 -3.2942 -3.2891 -3.2852 -3.2831 -3.2772 -3.2610 -3.2541 -3.2526 -3.2391 -3.2347 -3.2343 -3.2327 -3.2317 -3.2175 -3.2153 -3.2118 -3.2112 -3.2074 -3.2056 -3.2016 -3.1996 -3.1986 -3.1950 -3.1870 -3.1685 -3.1648 -3.1619 -3.1546 -3.1528 -3.1418 -3.1356 -3.1344 -3.1278 -3.1228 -3.1036 -3.0516 -3.0450 -3.0311 -2.9904 -2.9890 -2.9886 -2.8792 -2.6732 -2.6654 -2.6581 -2.6140 -2.5402 -2.2890 -1.9765 -1.7568 -1.7566 -1.7517 -1.7470 -1.7417 -1.7212 -1.6379 -1.6282 -1.5588 -1.2864 -1.1087 -1.1012 -1.0756 -1.0611 -1.0324 -0.9621 -0.7579 -0.7484 -0.7327 -0.7130 -0.6943 -0.6356 -0.5626 -0.3562 -0.2487 -0.1753 -0.0657 0.0486 0.1064 0.1465 0.2574 0.3352 0.3474 0.4314 0.4413 0.6365 1.0447 1.2834 1.3002 1.3451 1.4369 1.7784 2.2719 2.3327 2.5245 2.5570 2.5651 2.5666 2.5801 2.6053 2.6738 2.6976 2.9247 3.3033 3.3740 3.5074 3.7996 3.8809 3.8927 3.8945 3.9033 4.0341 4.1842 4.2266 4.3253 4.3497 4.3972 4.4557 4.4840 4.4894 4.5007 4.5502 4.6677 4.7370 4.7697 4.7855 4.8489 4.8504 4.9327 5.0531 5.1495 5.1579 5.1693 5.1730 5.1980 5.2908 5.3265 5.3446 5.4425 5.4767 5.5017 5.5775 5.6844 5.7085 5.7776 5.8304 5.8724 5.9160 5.9502 5.9793 6.0761 6.1428 6.1785 6.2144 6.2405 6.2472 6.2582 6.2783 6.2968 6.3353 6.3636 6.4060 6.4207 6.4664 6.4713 6.5025 6.5871 6.5993 6.6839 6.9631 7.0254 7.1065 7.2504 7.3150 7.3719 7.4121 7.4693 7.5344 7.6295 7.6899 7.7489 7.7771 7.8420 7.9025 7.9752 8.0066 8.0971 8.1160 8.1170 8.1359 8.1704 8.1897 8.1959 8.2031 8.2421 8.2598 8.2760 8.2893 8.3166 8.3414 8.4094 8.4306 8.4473 8.5048 8.5154 8.5965 8.7506 8.7815 8.7992 8.8503 8.8724 8.9385 8.9665 9.0434 9.0632 9.1070 9.1321 9.1359 9.1988 9.2319 9.2646 9.2892 9.3098 9.3410 9.3710 9.3997 9.4301 9.5175 9.5790 9.6079 9.7066 9.7451 9.7885 9.8391 9.9058 9.9756 9.9860 10.0238 10.0417 10.1077 10.1259 10.1375 10.1539 10.1593 10.1816 10.1993 10.2081 10.2304 10.2644 10.3120 10.3947 10.4477 10.5035 10.5234 10.6068 10.6371 10.6661 10.7158 10.7384 10.7678 10.8077 10.8476 10.9049 -17.1429 -10.0339 -8.9760 -8.8528 -8.5883 -8.5470 -8.1375 -7.8964 -7.8595 -7.6570 -7.5852 -7.4304 -7.3207 -7.0606 -6.9196 -6.8140 -6.6910 -6.5114 -6.3665 -6.3537 -6.3255 -6.2648 -6.2201 -6.2067 -6.1851 -6.1306 -6.1092 -6.0782 -6.0678 -6.0029 -5.9737 -5.9575 -5.9424 -5.9044 -5.8648 -5.8418 -5.8258 -5.7891 -5.7684 -5.7599 -5.7451 -5.7138 -5.7015 -5.6909 -5.6874 -5.6792 -5.6660 -5.6526 -5.6212 -5.6135 -5.6081 -5.5940 -5.5855 -5.5725 -5.5673 -5.5639 -5.5457 -5.5272 -5.5058 -5.5012 -5.4824 -5.4706 -5.4613 -5.4413 -5.4205 -5.3902 -5.3820 -5.3594 -5.3079 -5.3028 -5.2856 -5.2829 -5.2614 -5.2365 -5.2280 -5.2158 -5.2005 -5.1878 -5.1763 -5.1689 -5.1631 -5.1567 -5.1390 -5.1170 -5.0832 -5.0759 -5.0221 -5.0200 -5.0134 -5.0095 -5.0074 -4.9981 -4.9876 -4.9790 -4.9759 -4.9632 -4.9501 -4.9341 -4.9180 -4.9062 -4.8902 -4.8802 -4.8774 -4.8678 -4.8611 -4.8597 -4.8402 -4.8351 -4.8279 -4.7887 -4.7812 -4.7448 -4.7383 -4.7196 -4.7097 -4.7045 -4.7008 -4.6948 -4.6886 -4.6809 -4.6453 -4.6370 -4.6352 -4.6261 -4.6166 -4.6123 -4.6079 -4.6002 -4.5976 -4.5848 -4.5699 -4.5655 -4.5616 -4.5579 -4.5344 -4.5293 -4.5213 -4.4994 -4.4882 -4.4777 -4.4651 -4.4581 -4.4465 -4.4390 -4.4340 -4.4320 -4.4246 -4.4212 -4.4181 -4.4102 -4.4077 -4.4009 -4.3952 -4.3882 -4.3603 -4.3537 -4.3412 -4.3381 -4.3315 -4.3281 -4.3250 -4.3187 -4.3153 -4.3102 -4.3061 -4.2991 -4.2943 -4.2870 -4.2855 -4.2788 -4.2742 -4.2680 -4.2649 -4.2593 -4.2571 -4.2526 -4.2498 -4.2461 -4.2425 -4.2368 -4.2327 -4.2225 -4.2152 -4.2131 -4.2073 -4.2017 -4.1961 -4.1923 -4.1857 -4.1836 -4.1787 -4.1740 -4.1691 -4.1627 -4.1509 -4.1457 -4.1395 -4.1384 -4.1184 -4.1059 -4.1029 -4.0929 -4.0785 -4.0627 -4.0597 -4.0380 -4.0359 -4.0228 -4.0062 -3.9918 -3.9851 -3.9722 -3.9643 -3.9605 -3.9543 -3.9509 -3.9470 -3.9395 -3.9345 -3.9313 -3.9283 -3.9244 -3.9164 -3.9089 -3.9024 -3.8997 -3.8892 -3.8817 -3.8655 -3.8377 -3.8250 -3.7969 -3.7907 -3.7850 -3.7783 -3.7718 -3.7701 -3.7550 -3.7465 -3.7384 -3.7354 -3.7217 -3.7159 -3.7049 -3.6854 -3.6817 -3.6756 -3.6680 -3.6646 -3.6607 -3.6551 -3.6514 -3.6438 -3.6355 -3.6304 -3.6285 -3.6248 -3.6201 -3.6123 -3.6088 -3.6051 -3.6031 -3.5905 -3.5895 -3.5860 -3.5706 -3.5632 -3.5585 -3.5557 -3.5475 -3.5424 -3.5339 -3.5261 -3.5222 -3.5154 -3.5082 -3.5033 -3.4969 -3.4876 -3.4834 -3.4713 -3.4611 -3.4448 -3.4367 -3.4294 -3.4233 -3.4210 -3.4010 -3.3985 -3.3852 -3.3803 -3.3733 -3.3688 -3.3602 -3.3490 -3.3449 -3.3276 -3.3263 -3.3193 -3.3162 -3.3076 -3.3065 -3.2998 -3.2974 -3.2947 -3.2802 -3.2704 -3.2627 -3.2520 -3.2486 -3.2428 -3.2389 -3.2324 -3.2314 -3.2301 -3.2233 -3.2200 -3.2154 -3.2127 -3.2103 -3.2009 -3.1969 -3.1929 -3.1878 -3.1817 -3.1699 -3.1677 -3.1598 -3.1567 -3.1428 -3.1301 -3.1175 -3.1031 -3.0968 -3.0770 -3.0636 -3.0450 -3.0441 -3.0189 -2.9247 -2.8012 -2.7021 -2.5811 -2.4384 -2.4202 -2.4010 -2.3479 -2.2143 -2.1140 -1.9957 -1.9145 -1.8037 -1.7425 -1.7248 -1.6425 -1.6040 -1.4055 -1.2322 -1.1487 -1.0681 -1.0400 -0.9090 -0.8987 -0.8620 -0.8582 -0.7950 -0.6459 -0.5212 -0.3758 -0.2665 -0.2003 -0.1322 -0.0514 -0.0398 -0.0199 0.1500 0.3018 0.3934 0.4385 0.4629 0.6539 0.7809 0.9093 1.1053 1.3938 1.4824 1.5896 1.7591 1.8628 2.0097 2.2607 2.3856 2.4141 2.5455 2.6342 2.6443 2.6873 2.8456 3.0537 3.1013 3.3169 3.3678 3.5433 3.6179 3.6555 3.7013 3.7850 3.8222 3.9110 3.9245 3.9719 4.0690 4.1102 4.1812 4.2163 4.2363 4.2543 4.3389 4.3776 4.3896 4.4480 4.5339 4.5849 4.6360 4.7000 4.8056 4.8477 4.8875 4.9529 4.9777 5.0407 5.2397 5.3447 5.4317 5.4719 5.5175 5.5540 5.5675 5.6102 5.6502 5.7210 5.7789 5.8503 5.9155 5.9592 6.0141 6.0714 6.1445 6.1994 6.2428 6.2965 6.3310 6.3881 6.4217 6.5134 6.5316 6.5768 6.6283 6.6930 6.7285 6.7915 6.8286 6.8637 6.8938 6.9048 6.9288 6.9596 6.9919 7.0444 7.0716 7.1017 7.1176 7.2442 7.2700 7.3327 7.4482 7.4979 7.6459 7.6950 7.7823 7.8428 7.8794 7.9101 7.9626 7.9867 8.0238 8.0349 8.0788 8.1148 8.1353 8.1832 8.2281 8.2498 8.3331 8.3753 8.3963 8.4365 8.4773 8.5067 8.5414 8.5500 8.6008 8.6322 8.6681 8.7050 8.7512 8.8071 8.8288 8.8782 8.8977 8.9534 8.9891 9.0436 9.1005 9.1446 9.1629 9.1919 9.2356 9.2966 9.3677 9.3818 9.4389 9.4665 9.5188 9.5458 9.6088 9.6828 9.7066 9.7747 9.8327 9.9096 9.9461 10.0123 10.0518 10.0937 10.1029 10.1428 10.1707 10.2146 10.2237 10.2722 10.3230 10.3577 10.3872 10.4491 10.4805 10.5473 10.6010 10.6333 10.6712 10.7762 10.8117 10.8444 10.8726 10.9126 10.9443 10.9756 11.0095 11.0494 11.1078 -17.1429 -10.0337 -8.9744 -8.8552 -8.5887 -8.5444 -8.1403 -7.8960 -7.8559 -7.6578 -7.5880 -7.4403 -7.3176 -7.0589 -6.9270 -6.7848 -6.6646 -6.5550 -6.3902 -6.3523 -6.3448 -6.2776 -6.2174 -6.1892 -6.1779 -6.1217 -6.0851 -6.0750 -6.0368 -6.0056 -5.9755 -5.9669 -5.9409 -5.9205 -5.8725 -5.8507 -5.8218 -5.7825 -5.7709 -5.7592 -5.7524 -5.7126 -5.6981 -5.6928 -5.6817 -5.6778 -5.6694 -5.6465 -5.6290 -5.6074 -5.6000 -5.5931 -5.5889 -5.5745 -5.5677 -5.5575 -5.5454 -5.5331 -5.5134 -5.5016 -5.4894 -5.4610 -5.4525 -5.4446 -5.4269 -5.3921 -5.3805 -5.3675 -5.3076 -5.3030 -5.2864 -5.2787 -5.2597 -5.2361 -5.2277 -5.2207 -5.1979 -5.1841 -5.1751 -5.1704 -5.1594 -5.1536 -5.1395 -5.1257 -5.0829 -5.0782 -5.0203 -5.0158 -5.0124 -5.0098 -5.0080 -4.9959 -4.9882 -4.9860 -4.9712 -4.9672 -4.9432 -4.9341 -4.9179 -4.9143 -4.8873 -4.8839 -4.8755 -4.8725 -4.8610 -4.8570 -4.8415 -4.8333 -4.8278 -4.7877 -4.7820 -4.7463 -4.7354 -4.7246 -4.7094 -4.7030 -4.6979 -4.6930 -4.6893 -4.6805 -4.6454 -4.6417 -4.6359 -4.6276 -4.6164 -4.6134 -4.6034 -4.5979 -4.5935 -4.5833 -4.5769 -4.5675 -4.5606 -4.5581 -4.5329 -4.5280 -4.5232 -4.4958 -4.4853 -4.4792 -4.4729 -4.4634 -4.4450 -4.4411 -4.4310 -4.4300 -4.4230 -4.4204 -4.4162 -4.4124 -4.4087 -4.4022 -4.3905 -4.3721 -4.3648 -4.3526 -4.3454 -4.3356 -4.3333 -4.3300 -4.3243 -4.3171 -4.3136 -4.3102 -4.3049 -4.2942 -4.2930 -4.2880 -4.2840 -4.2785 -4.2766 -4.2707 -4.2641 -4.2607 -4.2540 -4.2509 -4.2491 -4.2476 -4.2450 -4.2363 -4.2317 -4.2273 -4.2185 -4.2130 -4.2082 -4.2032 -4.1971 -4.1940 -4.1863 -4.1824 -4.1797 -4.1749 -4.1669 -4.1625 -4.1483 -4.1451 -4.1386 -4.1367 -4.1201 -4.1079 -4.1012 -4.0952 -4.0731 -4.0651 -4.0547 -4.0406 -4.0364 -4.0221 -4.0054 -4.0025 -3.9832 -3.9702 -3.9640 -3.9615 -3.9559 -3.9529 -3.9490 -3.9441 -3.9340 -3.9302 -3.9232 -3.9202 -3.9169 -3.9118 -3.8988 -3.8954 -3.8907 -3.8854 -3.8624 -3.8361 -3.8310 -3.7990 -3.7874 -3.7793 -3.7756 -3.7731 -3.7684 -3.7537 -3.7467 -3.7438 -3.7309 -3.7230 -3.7191 -3.7013 -3.6870 -3.6827 -3.6758 -3.6709 -3.6656 -3.6609 -3.6569 -3.6543 -3.6461 -3.6401 -3.6342 -3.6288 -3.6231 -3.6174 -3.6137 -3.6087 -3.6038 -3.5941 -3.5904 -3.5868 -3.5860 -3.5718 -3.5617 -3.5566 -3.5543 -3.5505 -3.5435 -3.5360 -3.5275 -3.5216 -3.5167 -3.5104 -3.5038 -3.4996 -3.4866 -3.4799 -3.4675 -3.4616 -3.4470 -3.4409 -3.4296 -3.4231 -3.4168 -3.4042 -3.3983 -3.3850 -3.3785 -3.3765 -3.3695 -3.3592 -3.3553 -3.3407 -3.3326 -3.3229 -3.3189 -3.3167 -3.3119 -3.3033 -3.3011 -3.2959 -3.2930 -3.2744 -3.2633 -3.2612 -3.2581 -3.2490 -3.2444 -3.2425 -3.2320 -3.2305 -3.2256 -3.2239 -3.2210 -3.2152 -3.2120 -3.2074 -3.1994 -3.1969 -3.1930 -3.1885 -3.1812 -3.1726 -3.1659 -3.1587 -3.1517 -3.1497 -3.1346 -3.1222 -3.1013 -3.0954 -3.0751 -3.0658 -3.0460 -3.0447 -3.0189 -2.9204 -2.7907 -2.6981 -2.5913 -2.4341 -2.4197 -2.4164 -2.3257 -2.2192 -2.1548 -2.0009 -1.9037 -1.7795 -1.7502 -1.7258 -1.6589 -1.5644 -1.4483 -1.2970 -1.0993 -1.0703 -0.9878 -0.9122 -0.8682 -0.8619 -0.8525 -0.7550 -0.6892 -0.4955 -0.4790 -0.2726 -0.1980 -0.1130 -0.0502 -0.0373 -0.0207 0.1567 0.3411 0.4027 0.4267 0.4650 0.6162 0.7984 0.9320 1.1584 1.3321 1.5033 1.5514 1.7500 1.8129 2.0111 2.2569 2.3916 2.5182 2.5559 2.6097 2.6323 2.7011 2.8263 3.0511 3.1189 3.2966 3.3838 3.5118 3.6315 3.6584 3.6949 3.7762 3.8172 3.9168 3.9359 3.9589 4.0457 4.1024 4.1718 4.2151 4.2364 4.2506 4.3581 4.3900 4.4068 4.4795 4.5249 4.5680 4.6580 4.6841 4.8337 4.8567 4.8874 4.9055 4.9937 5.0462 5.2444 5.3290 5.4299 5.4514 5.5222 5.5387 5.5881 5.6137 5.6474 5.7013 5.7961 5.8510 5.9245 5.9491 5.9937 6.0915 6.1262 6.1888 6.2358 6.2959 6.3542 6.4042 6.4671 6.5087 6.5297 6.5504 6.5964 6.6793 6.7508 6.7992 6.8236 6.8659 6.8835 6.9138 6.9464 6.9619 6.9973 7.0332 7.0558 7.0996 7.1713 7.2412 7.2730 7.3098 7.4406 7.5032 7.5920 7.7191 7.7570 7.8329 7.8765 7.9104 7.9494 7.9989 8.0165 8.0443 8.1056 8.1193 8.1707 8.1799 8.2274 8.2599 8.3465 8.3512 8.3991 8.4183 8.4747 8.5097 8.5497 8.5659 8.5918 8.6316 8.6762 8.7019 8.7388 8.7611 8.8328 8.8529 8.9336 8.9605 8.9958 9.0446 9.1051 9.1391 9.1490 9.1883 9.2385 9.3128 9.3501 9.3696 9.4376 9.4622 9.5152 9.5651 9.6505 9.6857 9.6979 9.7204 9.8484 9.9034 9.9462 9.9695 10.0373 10.0824 10.1156 10.1302 10.1560 10.2066 10.2326 10.2510 10.3399 10.3544 10.4186 10.4579 10.5058 10.5530 10.6095 10.6520 10.7003 10.7926 10.8297 10.8476 10.8944 10.9120 10.9514 10.9804 11.0183 11.0619 11.0889 -17.1429 -9.8060 -9.4291 -8.8150 -8.6829 -8.6271 -8.3052 -7.8753 -7.5427 -7.4450 -7.4175 -7.3016 -7.0117 -6.9406 -6.8840 -6.8507 -6.6978 -6.5653 -6.5068 -6.4748 -6.4129 -6.3180 -6.2513 -6.2246 -6.1871 -6.1697 -6.1450 -6.1374 -6.0930 -6.0588 -6.0502 -6.0288 -6.0099 -6.0031 -5.9237 -5.9121 -5.8675 -5.8490 -5.8248 -5.7865 -5.7291 -5.6966 -5.6640 -5.6501 -5.6414 -5.6401 -5.6317 -5.6213 -5.6105 -5.6007 -5.5998 -5.5881 -5.5860 -5.5745 -5.5675 -5.5571 -5.5361 -5.5206 -5.5119 -5.4946 -5.4688 -5.4407 -5.4155 -5.4136 -5.3894 -5.3722 -5.3677 -5.3645 -5.3593 -5.3481 -5.3267 -5.2947 -5.2844 -5.2670 -5.2431 -5.1911 -5.1854 -5.1792 -5.1631 -5.1574 -5.1396 -5.1361 -5.1107 -5.1031 -5.0977 -5.0910 -5.0860 -5.0773 -5.0663 -5.0489 -5.0276 -5.0113 -5.0065 -4.9974 -4.9851 -4.9806 -4.9605 -4.9065 -4.9044 -4.8903 -4.8841 -4.8763 -4.8708 -4.8602 -4.8562 -4.8450 -4.8354 -4.8243 -4.7877 -4.7821 -4.7479 -4.7270 -4.7184 -4.7053 -4.6999 -4.6936 -4.6831 -4.6814 -4.6714 -4.6636 -4.6527 -4.6393 -4.6300 -4.6233 -4.5955 -4.5901 -4.5874 -4.5691 -4.5643 -4.5510 -4.5441 -4.5384 -4.5297 -4.5267 -4.5235 -4.5132 -4.5036 -4.4985 -4.4845 -4.4671 -4.4630 -4.4592 -4.4499 -4.4438 -4.4405 -4.4316 -4.4230 -4.4155 -4.4128 -4.4083 -4.4064 -4.4017 -4.3982 -4.3904 -4.3878 -4.3843 -4.3758 -4.3693 -4.3660 -4.3614 -4.3542 -4.3528 -4.3457 -4.3384 -4.3340 -4.3315 -4.3284 -4.3263 -4.3223 -4.3196 -4.3156 -4.3072 -4.2959 -4.2878 -4.2794 -4.2750 -4.2693 -4.2626 -4.2526 -4.2488 -4.2382 -4.2326 -4.2272 -4.2130 -4.2067 -4.1977 -4.1925 -4.1879 -4.1794 -4.1753 -4.1605 -4.1501 -4.1458 -4.1350 -4.1159 -4.1106 -4.1018 -4.0991 -4.0951 -4.0807 -4.0753 -4.0570 -4.0390 -4.0153 -4.0102 -3.9963 -3.9888 -3.9739 -3.9658 -3.9597 -3.9545 -3.9448 -3.9419 -3.9373 -3.9357 -3.9282 -3.9243 -3.9216 -3.9204 -3.9147 -3.9136 -3.9058 -3.8981 -3.8924 -3.8535 -3.8465 -3.8259 -3.8205 -3.8171 -3.8106 -3.8011 -3.7953 -3.7901 -3.7887 -3.7821 -3.7786 -3.7624 -3.7384 -3.7202 -3.7101 -3.6942 -3.6886 -3.6870 -3.6801 -3.6749 -3.6693 -3.6600 -3.6563 -3.6499 -3.6407 -3.6340 -3.6322 -3.6212 -3.6185 -3.6118 -3.6102 -3.6032 -3.5995 -3.5921 -3.5826 -3.5774 -3.5735 -3.5616 -3.5512 -3.5479 -3.5372 -3.5308 -3.5243 -3.5169 -3.5121 -3.5045 -3.4982 -3.4925 -3.4867 -3.4774 -3.4672 -3.4605 -3.4528 -3.4441 -3.4418 -3.4354 -3.4339 -3.4279 -3.4223 -3.4043 -3.3943 -3.3867 -3.3819 -3.3748 -3.3675 -3.3606 -3.3595 -3.3512 -3.3419 -3.3399 -3.3371 -3.3306 -3.3290 -3.3228 -3.3182 -3.3127 -3.3052 -3.3007 -3.2973 -3.2920 -3.2874 -3.2860 -3.2803 -3.2744 -3.2732 -3.2692 -3.2656 -3.2562 -3.2519 -3.2424 -3.2371 -3.2339 -3.2312 -3.2242 -3.2211 -3.2174 -3.2149 -3.2129 -3.2108 -3.2084 -3.2019 -3.1891 -3.1834 -3.1802 -3.1744 -3.1554 -3.1459 -3.1371 -3.1274 -3.1240 -3.1153 -3.1048 -3.0991 -3.0837 -2.9801 -2.9403 -2.8995 -2.8923 -2.7875 -2.7278 -2.6593 -2.5756 -2.4547 -2.2377 -2.0720 -1.9599 -1.8213 -1.7479 -1.7401 -1.7218 -1.7016 -1.5764 -1.4916 -1.3624 -1.2222 -1.0851 -1.0769 -1.0444 -1.0304 -0.9898 -0.9143 -0.6400 -0.3277 -0.0419 0.1687 0.2095 0.2284 0.2372 0.2599 0.3022 0.4298 0.5864 0.7477 0.8239 0.9128 1.0167 1.0354 1.1207 1.1579 1.2214 1.5137 1.6717 1.7217 1.9204 1.9978 2.3048 2.3579 2.4329 2.5629 2.6327 2.7796 2.8626 2.8953 2.9413 3.0644 3.2436 3.2680 3.2921 3.3068 3.3358 3.3894 3.4219 3.4881 3.5278 3.6027 3.7299 3.8101 3.9426 4.0360 4.0652 4.1412 4.1906 4.4371 4.4752 4.4878 4.5424 4.5504 4.5955 4.6391 4.6939 4.7601 4.7879 4.8191 4.8482 4.9164 5.0764 5.1340 5.1696 5.2350 5.3113 5.3695 5.4039 5.4377 5.4507 5.5066 5.5460 5.6208 5.8580 5.9144 5.9746 6.0078 6.0785 6.0904 6.1261 6.1444 6.1948 6.2321 6.3347 6.3574 6.3954 6.4384 6.5019 6.6075 6.7242 6.7500 6.7904 6.8864 6.9215 6.9423 6.9942 7.0351 7.1147 7.2062 7.2497 7.2778 7.3534 7.3721 7.4058 7.4786 7.5384 7.5746 7.6116 7.6328 7.6749 7.6943 7.7426 7.7569 7.7916 7.8125 7.8692 7.9106 7.9681 8.0126 8.0524 8.1208 8.1651 8.1822 8.2401 8.2623 8.2997 8.3687 8.3786 8.3929 8.4328 8.4732 8.5753 8.6638 8.6860 8.7513 8.8001 8.8630 8.9533 8.9852 9.0077 9.0499 9.1361 9.2018 9.2264 9.2694 9.3032 9.3333 9.3748 9.4580 9.5129 9.5987 9.6329 9.6970 9.7126 9.7450 9.7718 9.8058 9.8367 9.8911 9.9234 9.9707 9.9948 10.0342 10.0883 10.1279 10.1595 10.1716 10.2177 10.2417 10.2894 10.3139 10.3520 10.3956 10.4237 10.4940 10.5438 10.5650 10.6383 10.6485 10.6665 10.7103 10.7460 10.7606 10.8824 10.9370 10.9655 10.9907 11.0303 11.0397 11.0694 11.0809 -17.1429 -9.8047 -9.4305 -8.8158 -8.6801 -8.6262 -8.3029 -7.8901 -7.5493 -7.4356 -7.4183 -7.3061 -6.9691 -6.9417 -6.8853 -6.8461 -6.7416 -6.5742 -6.5097 -6.4835 -6.4046 -6.3381 -6.2450 -6.2011 -6.1819 -6.1714 -6.1446 -6.1326 -6.0793 -6.0587 -6.0509 -6.0142 -6.0080 -5.9804 -5.9433 -5.9130 -5.8883 -5.8554 -5.8258 -5.7793 -5.7231 -5.6950 -5.6672 -5.6474 -5.6440 -5.6413 -5.6319 -5.6233 -5.6073 -5.5983 -5.5939 -5.5906 -5.5823 -5.5736 -5.5674 -5.5545 -5.5428 -5.5216 -5.5159 -5.4965 -5.4773 -5.4285 -5.4156 -5.4101 -5.3886 -5.3858 -5.3694 -5.3645 -5.3591 -5.3554 -5.3192 -5.2956 -5.2797 -5.2658 -5.2458 -5.1904 -5.1850 -5.1753 -5.1606 -5.1565 -5.1494 -5.1329 -5.1140 -5.1023 -5.0968 -5.0888 -5.0840 -5.0765 -5.0646 -5.0437 -5.0388 -5.0115 -5.0085 -4.9980 -4.9902 -4.9748 -4.9639 -4.9091 -4.9014 -4.8900 -4.8865 -4.8794 -4.8723 -4.8599 -4.8527 -4.8418 -4.8359 -4.8236 -4.7865 -4.7837 -4.7530 -4.7241 -4.7145 -4.7059 -4.7003 -4.6918 -4.6872 -4.6767 -4.6720 -4.6624 -4.6555 -4.6426 -4.6336 -4.6262 -4.5958 -4.5912 -4.5853 -4.5646 -4.5589 -4.5557 -4.5428 -4.5359 -4.5321 -4.5231 -4.5208 -4.5123 -4.5032 -4.4992 -4.4941 -4.4687 -4.4648 -4.4585 -4.4533 -4.4464 -4.4359 -4.4284 -4.4241 -4.4208 -4.4114 -4.4061 -4.4049 -4.4020 -4.3982 -4.3935 -4.3879 -4.3829 -4.3791 -4.3701 -4.3616 -4.3586 -4.3554 -4.3521 -4.3423 -4.3376 -4.3331 -4.3294 -4.3272 -4.3246 -4.3202 -4.3177 -4.3125 -4.3033 -4.2912 -4.2854 -4.2827 -4.2760 -4.2715 -4.2569 -4.2550 -4.2427 -4.2365 -4.2287 -4.2198 -4.2110 -4.2056 -4.1984 -4.1951 -4.1884 -4.1811 -4.1745 -4.1602 -4.1535 -4.1451 -4.1349 -4.1158 -4.1108 -4.1050 -4.0978 -4.0960 -4.0863 -4.0765 -4.0607 -4.0376 -4.0161 -4.0116 -4.0015 -3.9804 -3.9737 -3.9705 -3.9620 -3.9582 -3.9512 -3.9460 -3.9372 -3.9340 -3.9294 -3.9272 -3.9237 -3.9203 -3.9163 -3.9135 -3.9016 -3.8966 -3.8811 -3.8587 -3.8346 -3.8278 -3.8201 -3.8102 -3.8069 -3.8049 -3.8027 -3.7920 -3.7875 -3.7819 -3.7705 -3.7617 -3.7498 -3.7294 -3.7101 -3.7060 -3.6869 -3.6829 -3.6762 -3.6723 -3.6697 -3.6596 -3.6542 -3.6479 -3.6432 -3.6368 -3.6334 -3.6240 -3.6183 -3.6134 -3.6094 -3.6067 -3.5939 -3.5891 -3.5790 -3.5770 -3.5696 -3.5638 -3.5510 -3.5428 -3.5393 -3.5334 -3.5249 -3.5190 -3.5160 -3.5064 -3.4967 -3.4960 -3.4830 -3.4738 -3.4657 -3.4629 -3.4536 -3.4468 -3.4396 -3.4364 -3.4331 -3.4249 -3.4127 -3.4037 -3.3945 -3.3922 -3.3796 -3.3747 -3.3693 -3.3629 -3.3602 -3.3532 -3.3463 -3.3393 -3.3375 -3.3307 -3.3281 -3.3213 -3.3166 -3.3113 -3.3058 -3.2990 -3.2956 -3.2912 -3.2881 -3.2833 -3.2811 -3.2780 -3.2744 -3.2704 -3.2655 -3.2551 -3.2526 -3.2442 -3.2360 -3.2307 -3.2270 -3.2228 -3.2203 -3.2179 -3.2168 -3.2130 -3.2087 -3.2078 -3.2037 -3.1892 -3.1825 -3.1813 -3.1735 -3.1580 -3.1407 -3.1364 -3.1306 -3.1223 -3.1123 -3.1046 -3.0980 -3.0839 -3.0071 -2.9401 -2.9014 -2.8904 -2.7958 -2.7186 -2.6815 -2.5695 -2.4036 -2.3070 -2.0641 -1.9067 -1.8830 -1.7441 -1.7380 -1.7119 -1.6917 -1.6278 -1.4683 -1.3317 -1.2542 -1.0954 -1.0687 -1.0509 -1.0320 -0.9569 -0.8999 -0.6338 -0.3841 0.0391 0.1734 0.2061 0.2297 0.2329 0.2589 0.3365 0.4047 0.6347 0.7632 0.7923 0.8701 1.0078 1.0214 1.1230 1.1739 1.2101 1.4726 1.6710 1.7501 1.9562 1.9993 2.2811 2.3803 2.3945 2.5654 2.6619 2.7744 2.8767 2.8852 2.9342 3.0342 3.2468 3.2543 3.2887 3.3195 3.3361 3.3895 3.4261 3.4625 3.5156 3.5943 3.8027 3.8261 3.9660 4.0168 4.0735 4.1322 4.2127 4.4200 4.4718 4.4856 4.5231 4.5610 4.5902 4.6276 4.6871 4.7620 4.7773 4.8287 4.8643 4.9441 5.0657 5.1517 5.1663 5.1956 5.3207 5.3564 5.3829 5.4313 5.4713 5.5042 5.5887 5.6115 5.8363 5.9142 5.9411 6.0196 6.0648 6.0878 6.1234 6.1777 6.1997 6.2479 6.3102 6.3649 6.3806 6.4601 6.4886 6.5913 6.7267 6.7372 6.7886 6.8740 6.9324 6.9686 6.9966 7.0543 7.1208 7.1969 7.2350 7.2827 7.3408 7.3580 7.4303 7.4848 7.5191 7.5632 7.5926 7.6547 7.6775 7.7029 7.7284 7.7528 7.7823 7.8267 7.8650 7.8959 7.9442 8.0184 8.0896 8.1211 8.1498 8.1769 8.2308 8.2777 8.3107 8.3457 8.3872 8.4025 8.4327 8.5031 8.5599 8.6474 8.6980 8.7604 8.8340 8.8699 8.9104 8.9590 8.9998 9.0349 9.1303 9.1655 9.2310 9.2675 9.3068 9.3414 9.4175 9.4587 9.4776 9.5971 9.6329 9.6912 9.7124 9.7317 9.7599 9.8195 9.8342 9.8506 9.9206 9.9607 10.0235 10.0469 10.0752 10.1261 10.1648 10.1856 10.2130 10.2544 10.2780 10.3050 10.3739 10.4088 10.4449 10.4781 10.5277 10.6010 10.6327 10.6487 10.6934 10.7115 10.7538 10.7805 10.8619 10.9274 10.9621 11.0067 11.0390 11.0670 11.0794 11.0881 -17.1429 -10.0338 -8.9778 -8.8527 -8.5845 -8.5461 -8.1421 -7.8964 -7.8612 -7.6512 -7.5827 -7.4354 -7.3215 -7.0603 -6.9249 -6.8080 -6.6843 -6.5232 -6.3679 -6.3496 -6.3267 -6.2765 -6.2301 -6.1887 -6.1773 -6.1222 -6.1120 -6.0762 -6.0675 -6.0092 -5.9711 -5.9579 -5.9340 -5.9251 -5.8722 -5.8504 -5.8083 -5.7884 -5.7661 -5.7552 -5.7415 -5.7130 -5.7019 -5.6926 -5.6867 -5.6786 -5.6675 -5.6433 -5.6304 -5.6248 -5.6034 -5.5941 -5.5830 -5.5733 -5.5635 -5.5565 -5.5425 -5.5304 -5.5131 -5.4998 -5.4839 -5.4732 -5.4585 -5.4445 -5.4180 -5.3947 -5.3825 -5.3602 -5.3098 -5.3014 -5.2861 -5.2782 -5.2621 -5.2373 -5.2302 -5.2163 -5.1996 -5.1873 -5.1738 -5.1708 -5.1625 -5.1479 -5.1417 -5.1215 -5.0843 -5.0764 -5.0214 -5.0177 -5.0124 -5.0086 -5.0045 -4.9987 -4.9897 -4.9798 -4.9756 -4.9659 -4.9460 -4.9331 -4.9206 -4.9118 -4.8888 -4.8850 -4.8740 -4.8720 -4.8621 -4.8608 -4.8384 -4.8305 -4.8264 -4.7875 -4.7824 -4.7423 -4.7393 -4.7200 -4.7100 -4.7066 -4.6990 -4.6943 -4.6894 -4.6807 -4.6464 -4.6385 -4.6339 -4.6299 -4.6178 -4.6106 -4.6037 -4.5992 -4.5947 -4.5857 -4.5713 -4.5675 -4.5600 -4.5571 -4.5356 -4.5295 -4.5225 -4.5019 -4.4868 -4.4799 -4.4646 -4.4592 -4.4459 -4.4391 -4.4338 -4.4301 -4.4247 -4.4233 -4.4177 -4.4135 -4.4082 -4.3995 -4.3936 -4.3847 -4.3660 -4.3521 -4.3390 -4.3367 -4.3331 -4.3291 -4.3223 -4.3185 -4.3137 -4.3106 -4.3019 -4.2988 -4.2945 -4.2889 -4.2853 -4.2782 -4.2743 -4.2707 -4.2677 -4.2574 -4.2563 -4.2530 -4.2511 -4.2450 -4.2411 -4.2352 -4.2311 -4.2213 -4.2165 -4.2141 -4.2090 -4.2022 -4.1971 -4.1918 -4.1855 -4.1808 -4.1783 -4.1764 -4.1675 -4.1628 -4.1478 -4.1447 -4.1384 -4.1325 -4.1174 -4.1129 -4.1020 -4.0940 -4.0726 -4.0647 -4.0517 -4.0386 -4.0363 -4.0252 -4.0075 -4.0012 -3.9863 -3.9787 -3.9640 -3.9578 -3.9533 -3.9493 -3.9484 -3.9438 -3.9389 -3.9280 -3.9257 -3.9222 -3.9181 -3.9087 -3.9049 -3.8963 -3.8895 -3.8806 -3.8660 -3.8375 -3.8293 -3.7898 -3.7891 -3.7802 -3.7775 -3.7724 -3.7698 -3.7582 -3.7494 -3.7381 -3.7294 -3.7233 -3.7150 -3.7051 -3.6880 -3.6807 -3.6731 -3.6686 -3.6631 -3.6603 -3.6552 -3.6543 -3.6474 -3.6378 -3.6357 -3.6305 -3.6237 -3.6191 -3.6140 -3.6111 -3.6061 -3.6000 -3.5908 -3.5888 -3.5838 -3.5692 -3.5623 -3.5587 -3.5539 -3.5510 -3.5395 -3.5354 -3.5276 -3.5221 -3.5149 -3.5090 -3.5062 -3.5008 -3.4871 -3.4794 -3.4728 -3.4618 -3.4448 -3.4397 -3.4273 -3.4237 -3.4176 -3.4015 -3.3933 -3.3879 -3.3815 -3.3748 -3.3655 -3.3617 -3.3522 -3.3408 -3.3312 -3.3240 -3.3199 -3.3159 -3.3089 -3.3054 -3.3022 -3.2953 -3.2915 -3.2755 -3.2644 -3.2634 -3.2597 -3.2464 -3.2423 -3.2382 -3.2338 -3.2300 -3.2276 -3.2215 -3.2198 -3.2170 -3.2154 -3.2105 -3.2009 -3.1960 -3.1927 -3.1887 -3.1818 -3.1725 -3.1648 -3.1585 -3.1539 -3.1500 -3.1320 -3.1235 -3.1039 -3.0893 -3.0749 -3.0661 -3.0447 -3.0430 -3.0190 -2.9153 -2.8127 -2.6899 -2.5896 -2.4425 -2.4212 -2.4072 -2.3472 -2.2266 -2.1059 -1.9928 -1.9039 -1.8110 -1.7481 -1.7178 -1.6519 -1.5849 -1.4240 -1.2384 -1.1424 -1.0731 -1.0320 -0.9000 -0.8779 -0.8656 -0.8511 -0.7984 -0.6599 -0.5143 -0.4037 -0.2822 -0.1779 -0.1213 -0.0492 -0.0446 -0.0238 0.1457 0.3111 0.4053 0.4440 0.4711 0.6149 0.7967 0.9211 1.1041 1.3760 1.4958 1.5561 1.7644 1.8604 2.0210 2.2569 2.3909 2.4634 2.5360 2.5827 2.6594 2.7153 2.8172 3.0621 3.1146 3.2775 3.4062 3.5453 3.5995 3.6566 3.7051 3.7704 3.8375 3.9138 3.9193 3.9712 4.0544 4.1096 4.1717 4.2090 4.2432 4.2532 4.3395 4.3854 4.4242 4.4498 4.5497 4.5637 4.6428 4.6861 4.8005 4.8518 4.8744 4.9206 5.0025 5.0344 5.2111 5.2953 5.4335 5.4729 5.5424 5.5591 5.6286 5.6885 5.7042 5.7551 5.7918 5.8469 5.8657 5.9201 5.9715 6.0284 6.1544 6.1891 6.2214 6.2542 6.3388 6.4005 6.4736 6.5029 6.5310 6.5796 6.6463 6.6807 6.7100 6.7546 6.7980 6.8231 6.8671 6.8839 6.9189 6.9842 6.9964 7.0224 7.0768 7.1410 7.2357 7.2523 7.2825 7.3886 7.4397 7.4947 7.5572 7.7079 7.7896 7.8153 7.8906 7.9119 7.9590 7.9928 8.0354 8.0972 8.1269 8.1637 8.1758 8.1970 8.2224 8.2642 8.3564 8.3842 8.4116 8.4293 8.4672 8.5009 8.5330 8.5567 8.5666 8.5824 8.6532 8.6773 8.7029 8.7385 8.7666 8.8068 8.8461 8.9554 9.0034 9.0613 9.1321 9.1753 9.1948 9.2240 9.2840 9.3050 9.3354 9.3750 9.4508 9.4763 9.5274 9.6191 9.6536 9.7129 9.7575 9.7963 9.8509 9.8810 9.9048 9.9154 9.9756 10.0088 10.0252 10.0999 10.1200 10.1319 10.1961 10.2683 10.3362 10.4009 10.4550 10.5131 10.5414 10.5685 10.6097 10.6515 10.6775 10.7628 10.7820 10.8007 10.8436 10.8750 10.9017 10.9728 10.9925 11.0759 11.1138 -17.1429 -9.8813 -9.1663 -9.1168 -8.7567 -8.2650 -8.0750 -8.0481 -7.9131 -7.5867 -7.2305 -7.2235 -7.0323 -7.0139 -6.9795 -6.8759 -6.6133 -6.4698 -6.4485 -6.3954 -6.3665 -6.3477 -6.3292 -6.3197 -6.2668 -6.1636 -6.1314 -6.1068 -6.0980 -6.0650 -6.0358 -5.9929 -5.9546 -5.9270 -5.9192 -5.8677 -5.8363 -5.7976 -5.7931 -5.7843 -5.7640 -5.7457 -5.7412 -5.7304 -5.6798 -5.6607 -5.6528 -5.6476 -5.6381 -5.6181 -5.5960 -5.5769 -5.5591 -5.5192 -5.5094 -5.5021 -5.4994 -5.4742 -5.4681 -5.4612 -5.4577 -5.4537 -5.4486 -5.4424 -5.4269 -5.4163 -5.4035 -5.3934 -5.3707 -5.3482 -5.2868 -5.2665 -5.2354 -5.2251 -5.2105 -5.2085 -5.2059 -5.2007 -5.1970 -5.1793 -5.1681 -5.1483 -5.1317 -5.1184 -5.1121 -5.1042 -5.0655 -5.0499 -5.0464 -5.0438 -5.0401 -5.0028 -4.9796 -4.9750 -4.9699 -4.9663 -4.9539 -4.9423 -4.9343 -4.9172 -4.8902 -4.8802 -4.8679 -4.8519 -4.8417 -4.8247 -4.8075 -4.7886 -4.7622 -4.7592 -4.7521 -4.7478 -4.7349 -4.7197 -4.7015 -4.6813 -4.6736 -4.6694 -4.6612 -4.6519 -4.6485 -4.6398 -4.6355 -4.6289 -4.6237 -4.6137 -4.5989 -4.5864 -4.5800 -4.5725 -4.5688 -4.5528 -4.5444 -4.5430 -4.5383 -4.5345 -4.5288 -4.5002 -4.4947 -4.4864 -4.4773 -4.4639 -4.4574 -4.4534 -4.4500 -4.4449 -4.4318 -4.4251 -4.4243 -4.4146 -4.4099 -4.4058 -4.4036 -4.4022 -4.3984 -4.3944 -4.3785 -4.3734 -4.3655 -4.3597 -4.3546 -4.3532 -4.3498 -4.3451 -4.3284 -4.3265 -4.3178 -4.3106 -4.3020 -4.2989 -4.2942 -4.2869 -4.2755 -4.2682 -4.2587 -4.2451 -4.2352 -4.2306 -4.2280 -4.2240 -4.2188 -4.2126 -4.2045 -4.2023 -4.1993 -4.1972 -4.1896 -4.1851 -4.1816 -4.1754 -4.1665 -4.1523 -4.1344 -4.1240 -4.1015 -4.0984 -4.0893 -4.0855 -4.0666 -4.0633 -4.0558 -4.0362 -4.0301 -4.0269 -4.0127 -4.0069 -3.9933 -3.9839 -3.9829 -3.9738 -3.9704 -3.9672 -3.9622 -3.9502 -3.9460 -3.9426 -3.9350 -3.9295 -3.9197 -3.9128 -3.9082 -3.9044 -3.9017 -3.8959 -3.8904 -3.8851 -3.8823 -3.8777 -3.8615 -3.8364 -3.8284 -3.8155 -3.8102 -3.7959 -3.7822 -3.7798 -3.7705 -3.7409 -3.7292 -3.7003 -3.6956 -3.6889 -3.6840 -3.6771 -3.6664 -3.6568 -3.6533 -3.6510 -3.6459 -3.6408 -3.6341 -3.6290 -3.6206 -3.6152 -3.6130 -3.6048 -3.6003 -3.5956 -3.5886 -3.5852 -3.5785 -3.5742 -3.5630 -3.5586 -3.5568 -3.5432 -3.5390 -3.5309 -3.5291 -3.5220 -3.5171 -3.5123 -3.4926 -3.4907 -3.4768 -3.4729 -3.4696 -3.4662 -3.4586 -3.4532 -3.4512 -3.4473 -3.4403 -3.4145 -3.4134 -3.4114 -3.4042 -3.3998 -3.3954 -3.3902 -3.3746 -3.3683 -3.3655 -3.3536 -3.3518 -3.3413 -3.3384 -3.3277 -3.3232 -3.3187 -3.3111 -3.3060 -3.2973 -3.2947 -3.2855 -3.2832 -3.2786 -3.2767 -3.2693 -3.2666 -3.2601 -3.2572 -3.2535 -3.2467 -3.2429 -3.2411 -3.2384 -3.2343 -3.2317 -3.2301 -3.2274 -3.2206 -3.2192 -3.2140 -3.2061 -3.1948 -3.1819 -3.1734 -3.1695 -3.1631 -3.1621 -3.1555 -3.1500 -3.1463 -3.1318 -3.1117 -3.0954 -3.0892 -3.0692 -2.9828 -2.8933 -2.8497 -2.6657 -2.5645 -2.4610 -2.4486 -2.4386 -2.4178 -2.4002 -2.3228 -2.0367 -1.9657 -1.9171 -1.8746 -1.8271 -1.7527 -1.5484 -1.4394 -1.3312 -1.0921 -1.0334 -0.8671 -0.8399 -0.7861 -0.5917 -0.5226 -0.4727 -0.4100 -0.3632 -0.2550 -0.0838 -0.0552 0.0741 0.1725 0.2132 0.2406 0.3969 0.5224 0.6621 0.9395 1.0751 1.1881 1.2285 1.2987 1.3099 1.5432 1.5924 1.7786 1.8724 2.0325 2.0555 2.4383 2.5131 2.6274 2.7871 2.8041 2.8897 3.0004 3.0605 3.0981 3.1210 3.1414 3.1641 3.2038 3.3281 3.3654 3.4961 3.5649 3.5957 3.7554 3.7933 3.9887 4.0463 4.1054 4.1351 4.1591 4.2451 4.2871 4.3680 4.4114 4.5076 4.5708 4.6117 4.6288 4.6896 4.7451 4.8118 4.8447 4.9412 4.9838 5.0502 5.0972 5.1363 5.1562 5.2621 5.3800 5.4380 5.4954 5.5613 5.5851 5.6685 5.6845 5.8123 5.8757 5.9303 5.9903 6.0488 6.0796 6.1303 6.1805 6.1992 6.2246 6.2403 6.2892 6.3618 6.4762 6.5968 6.6570 6.7063 6.7882 6.8494 6.9256 6.9765 7.0317 7.1096 7.1418 7.2264 7.2389 7.2653 7.3172 7.3392 7.3650 7.4145 7.4366 7.4562 7.4879 7.5012 7.5278 7.5585 7.5859 7.6424 7.6685 7.7119 7.7502 7.7953 7.8780 7.9607 8.0271 8.0728 8.1186 8.1613 8.1881 8.2564 8.3056 8.3476 8.3786 8.3993 8.5081 8.5917 8.6406 8.6957 8.7430 8.8043 8.8419 8.8755 8.9199 8.9477 8.9943 9.0344 9.0735 9.1079 9.1392 9.1864 9.2166 9.2850 9.3048 9.3275 9.3620 9.4003 9.4521 9.4814 9.5229 9.5521 9.5618 9.5925 9.6338 9.6926 9.7239 9.7544 9.8325 9.8828 9.9388 9.9694 10.0243 10.1039 10.1620 10.2010 10.2667 10.2978 10.3362 10.3813 10.4084 10.4312 10.4750 10.5464 10.5903 10.6410 10.6782 10.6993 10.7683 10.8286 10.8610 10.9024 10.9345 10.9629 10.9857 11.0473 11.1050 11.1329 11.1654 -17.1429 -9.8807 -9.1759 -9.1063 -8.7566 -8.2663 -8.0770 -8.0429 -7.9221 -7.5785 -7.2298 -7.2186 -7.1123 -7.0170 -6.9219 -6.8164 -6.6486 -6.4988 -6.4625 -6.3756 -6.3490 -6.3390 -6.3307 -6.3202 -6.2860 -6.1968 -6.1221 -6.1109 -6.0753 -6.0579 -6.0072 -5.9883 -5.9621 -5.9375 -5.9102 -5.8606 -5.8395 -5.7999 -5.7947 -5.7891 -5.7697 -5.7471 -5.7377 -5.7286 -5.6931 -5.6612 -5.6555 -5.6456 -5.6271 -5.6159 -5.5979 -5.5743 -5.5561 -5.5189 -5.5072 -5.5031 -5.4984 -5.4771 -5.4651 -5.4628 -5.4576 -5.4532 -5.4473 -5.4405 -5.4280 -5.4183 -5.4051 -5.3974 -5.3774 -5.3509 -5.2876 -5.2606 -5.2340 -5.2261 -5.2116 -5.2100 -5.2064 -5.2018 -5.1922 -5.1750 -5.1616 -5.1528 -5.1348 -5.1188 -5.1153 -5.1079 -5.0652 -5.0562 -5.0466 -5.0430 -5.0231 -5.0046 -4.9816 -4.9767 -4.9696 -4.9644 -4.9556 -4.9520 -4.9290 -4.9217 -4.8885 -4.8812 -4.8653 -4.8490 -4.8425 -4.8230 -4.8103 -4.7881 -4.7626 -4.7613 -4.7536 -4.7481 -4.7364 -4.7253 -4.7024 -4.6814 -4.6722 -4.6691 -4.6608 -4.6497 -4.6411 -4.6373 -4.6309 -4.6272 -4.6238 -4.6150 -4.6080 -4.5842 -4.5806 -4.5745 -4.5704 -4.5518 -4.5489 -4.5403 -4.5382 -4.5295 -4.5268 -4.5006 -4.4954 -4.4857 -4.4740 -4.4659 -4.4618 -4.4579 -4.4490 -4.4399 -4.4336 -4.4261 -4.4233 -4.4169 -4.4109 -4.4055 -4.4023 -4.3994 -4.3975 -4.3887 -4.3771 -4.3736 -4.3668 -4.3644 -4.3602 -4.3546 -4.3487 -4.3415 -4.3304 -4.3214 -4.3132 -4.3053 -4.3011 -4.2953 -4.2930 -4.2846 -4.2761 -4.2645 -4.2609 -4.2470 -4.2398 -4.2323 -4.2289 -4.2225 -4.2178 -4.2069 -4.2055 -4.2005 -4.1982 -4.1945 -4.1913 -4.1887 -4.1861 -4.1811 -4.1699 -4.1638 -4.1342 -4.1136 -4.1026 -4.0978 -4.0847 -4.0831 -4.0744 -4.0652 -4.0485 -4.0460 -4.0297 -4.0255 -4.0163 -4.0032 -3.9891 -3.9847 -3.9802 -3.9751 -3.9724 -3.9667 -3.9623 -3.9521 -3.9450 -3.9408 -3.9359 -3.9283 -3.9218 -3.9132 -3.9090 -3.9058 -3.8977 -3.8939 -3.8911 -3.8885 -3.8773 -3.8688 -3.8588 -3.8323 -3.8188 -3.8137 -3.8063 -3.7960 -3.7929 -3.7829 -3.7779 -3.7525 -3.7305 -3.7052 -3.6977 -3.6890 -3.6869 -3.6726 -3.6660 -3.6599 -3.6526 -3.6480 -3.6459 -3.6423 -3.6341 -3.6281 -3.6246 -3.6204 -3.6089 -3.6073 -3.5995 -3.5922 -3.5863 -3.5854 -3.5801 -3.5740 -3.5632 -3.5598 -3.5511 -3.5460 -3.5393 -3.5349 -3.5317 -3.5251 -3.5140 -3.5068 -3.4909 -3.4858 -3.4820 -3.4736 -3.4696 -3.4631 -3.4591 -3.4551 -3.4463 -3.4431 -3.4389 -3.4160 -3.4131 -3.4122 -3.4026 -3.3984 -3.3957 -3.3920 -3.3804 -3.3666 -3.3628 -3.3522 -3.3488 -3.3425 -3.3389 -3.3306 -3.3200 -3.3163 -3.3110 -3.3033 -3.2947 -3.2921 -3.2869 -3.2830 -3.2825 -3.2765 -3.2724 -3.2686 -3.2630 -3.2551 -3.2504 -3.2469 -3.2431 -3.2402 -3.2376 -3.2336 -3.2310 -3.2271 -3.2242 -3.2222 -3.2173 -3.2158 -3.2029 -3.1984 -3.1891 -3.1828 -3.1747 -3.1650 -3.1621 -3.1563 -3.1519 -3.1479 -3.1335 -3.1173 -3.0925 -3.0872 -3.0331 -3.0190 -2.8953 -2.8298 -2.6775 -2.5674 -2.4732 -2.4574 -2.4394 -2.4261 -2.4060 -2.2411 -2.0789 -1.9638 -1.9419 -1.8681 -1.8335 -1.7406 -1.5699 -1.4402 -1.2930 -1.1541 -1.0563 -0.8508 -0.8368 -0.7028 -0.5790 -0.5413 -0.4499 -0.4336 -0.3598 -0.2479 -0.0980 -0.0466 0.0426 0.1816 0.2299 0.3044 0.3700 0.5215 0.6279 0.8436 1.0893 1.1918 1.2581 1.2897 1.3609 1.5383 1.6312 1.7349 1.9233 2.0386 2.0669 2.4184 2.5101 2.5821 2.7284 2.8325 2.8889 2.9897 3.0488 3.0870 3.1100 3.1536 3.1713 3.2304 3.3096 3.3490 3.5042 3.5572 3.6691 3.7672 3.8055 3.9985 4.0479 4.1226 4.1339 4.1535 4.2281 4.2940 4.3665 4.4196 4.4983 4.5707 4.6087 4.6295 4.7005 4.7587 4.7680 4.8564 4.9351 4.9722 5.0336 5.0875 5.1287 5.1651 5.2688 5.3764 5.4444 5.4815 5.5264 5.6281 5.6646 5.6842 5.8043 5.8543 5.9238 5.9713 6.0377 6.0944 6.1581 6.1840 6.2005 6.2333 6.2433 6.3146 6.3783 6.4975 6.6201 6.6630 6.7204 6.7777 6.8391 6.8915 6.9472 7.0150 7.1089 7.1729 7.2201 7.2494 7.2757 7.3181 7.3331 7.3632 7.3994 7.4283 7.4621 7.4768 7.4953 7.5242 7.5370 7.5867 7.6051 7.6540 7.7085 7.7619 7.8030 7.9493 7.9783 8.0246 8.0569 8.1281 8.1550 8.1901 8.2269 8.2870 8.3648 8.3871 8.4268 8.5209 8.5702 8.5854 8.7028 8.7516 8.7895 8.8491 8.8847 8.9146 8.9425 9.0032 9.0341 9.0823 9.1206 9.1467 9.2055 9.2239 9.2588 9.2927 9.3122 9.3500 9.4055 9.4287 9.4840 9.5186 9.5529 9.5809 9.6071 9.6317 9.6836 9.7088 9.7557 9.8110 9.8626 9.9133 9.9747 10.0226 10.1099 10.1410 10.2408 10.2672 10.3326 10.3565 10.3851 10.4048 10.4381 10.4862 10.4971 10.5848 10.6322 10.6744 10.7375 10.8008 10.8215 10.8781 10.8957 10.9427 10.9648 11.0057 11.0645 11.0971 11.1314 11.1621 -17.1429 -9.6075 -9.5501 -9.2099 -8.6361 -8.3284 -8.1602 -8.0621 -7.6596 -7.5160 -7.4438 -7.0604 -6.9276 -6.7979 -6.7916 -6.7076 -6.6592 -6.6463 -6.6266 -6.5584 -6.4334 -6.3546 -6.3503 -6.2774 -6.2281 -6.2020 -6.1922 -6.1583 -6.1025 -6.0678 -6.0484 -5.9979 -5.9729 -5.9457 -5.9188 -5.9066 -5.8755 -5.8590 -5.8318 -5.7763 -5.7527 -5.7458 -5.7360 -5.7167 -5.6959 -5.6845 -5.6471 -5.6137 -5.5950 -5.5801 -5.5775 -5.5704 -5.5647 -5.5543 -5.5439 -5.5347 -5.4921 -5.4872 -5.4604 -5.4513 -5.4424 -5.4340 -5.4237 -5.4095 -5.3820 -5.3720 -5.3566 -5.3355 -5.3265 -5.3209 -5.3185 -5.3081 -5.2991 -5.2918 -5.2593 -5.2322 -5.2262 -5.1983 -5.1890 -5.1509 -5.1450 -5.1408 -5.1293 -5.1225 -5.1207 -5.1134 -5.1016 -5.0968 -5.0780 -5.0614 -5.0499 -5.0318 -5.0076 -5.0006 -4.9899 -4.9779 -4.9600 -4.9029 -4.8939 -4.8881 -4.8759 -4.8690 -4.8623 -4.8332 -4.8011 -4.7940 -4.7839 -4.7812 -4.7717 -4.7641 -4.7445 -4.7317 -4.7294 -4.7221 -4.7106 -4.6878 -4.6792 -4.6612 -4.6580 -4.6542 -4.6487 -4.6453 -4.6276 -4.6161 -4.6082 -4.5961 -4.5793 -4.5556 -4.5492 -4.5452 -4.5385 -4.5346 -4.5308 -4.5233 -4.5198 -4.5119 -4.5056 -4.4988 -4.4937 -4.4867 -4.4842 -4.4823 -4.4733 -4.4707 -4.4649 -4.4607 -4.4572 -4.4528 -4.4352 -4.4286 -4.4235 -4.4171 -4.4094 -4.4051 -4.3948 -4.3884 -4.3840 -4.3800 -4.3754 -4.3732 -4.3691 -4.3657 -4.3620 -4.3562 -4.3499 -4.3456 -4.3406 -4.3316 -4.3282 -4.3237 -4.3217 -4.3123 -4.2978 -4.2859 -4.2771 -4.2673 -4.2505 -4.2428 -4.2380 -4.2235 -4.2161 -4.2141 -4.2094 -4.2083 -4.2042 -4.2002 -4.1964 -4.1868 -4.1805 -4.1683 -4.1437 -4.1361 -4.1317 -4.1191 -4.1120 -4.1043 -4.0930 -4.0547 -4.0445 -4.0415 -4.0350 -4.0164 -3.9933 -3.9819 -3.9777 -3.9715 -3.9683 -3.9614 -3.9545 -3.9529 -3.9432 -3.9398 -3.9339 -3.9270 -3.9205 -3.9165 -3.9036 -3.9018 -3.8896 -3.8831 -3.8802 -3.8715 -3.8664 -3.8603 -3.8560 -3.8493 -3.8435 -3.8294 -3.8276 -3.8234 -3.8166 -3.8060 -3.8008 -3.7913 -3.7853 -3.7816 -3.7436 -3.7354 -3.7270 -3.7181 -3.7104 -3.7055 -3.7023 -3.6917 -3.6788 -3.6713 -3.6665 -3.6609 -3.6561 -3.6512 -3.6447 -3.6253 -3.6208 -3.6098 -3.5990 -3.5917 -3.5856 -3.5827 -3.5781 -3.5738 -3.5713 -3.5620 -3.5576 -3.5498 -3.5405 -3.5274 -3.5238 -3.5142 -3.5052 -3.4997 -3.4905 -3.4799 -3.4694 -3.4665 -3.4588 -3.4550 -3.4463 -3.4458 -3.4394 -3.4349 -3.4321 -3.4287 -3.4222 -3.4185 -3.4171 -3.4105 -3.4084 -3.4035 -3.3885 -3.3875 -3.3810 -3.3740 -3.3624 -3.3582 -3.3496 -3.3428 -3.3294 -3.3265 -3.3242 -3.3191 -3.3106 -3.3068 -3.3047 -3.3004 -3.2949 -3.2936 -3.2885 -3.2847 -3.2840 -3.2802 -3.2780 -3.2753 -3.2728 -3.2690 -3.2627 -3.2568 -3.2475 -3.2409 -3.2369 -3.2307 -3.2283 -3.2213 -3.2137 -3.2051 -3.2013 -3.1987 -3.1929 -3.1861 -3.1766 -3.1631 -3.1589 -3.1501 -3.1401 -3.1369 -3.1252 -3.1176 -3.0893 -3.0439 -3.0176 -2.9839 -2.9491 -2.9388 -2.8700 -2.7505 -2.6752 -2.6567 -2.6134 -2.4936 -2.4677 -2.3975 -2.2370 -2.0371 -1.9995 -1.9495 -1.9134 -1.7373 -1.5790 -1.3906 -1.3150 -1.1861 -1.1148 -0.8769 -0.8350 -0.7677 -0.5592 -0.5425 -0.4866 -0.3284 -0.1911 -0.1246 -0.0342 0.0339 0.0960 0.3648 0.4955 0.5910 0.6829 0.8625 1.0131 1.0501 1.1255 1.1700 1.1917 1.2699 1.3765 1.4912 1.5856 1.5990 1.6521 1.8052 2.2191 2.3282 2.5167 2.7067 2.7570 2.7804 2.8032 2.8734 2.9874 3.0397 3.0859 3.1267 3.2032 3.2970 3.4617 3.4724 3.4928 3.5334 3.6414 3.7084 3.8091 3.8513 3.9312 4.0022 4.0576 4.1789 4.2125 4.2681 4.3427 4.3801 4.5772 4.6015 4.6246 4.6636 4.7017 4.7236 4.7418 4.7948 4.8568 4.9245 4.9534 4.9800 4.9976 5.0522 5.1159 5.1503 5.2033 5.2792 5.3288 5.4356 5.5298 5.6301 5.7178 5.8982 5.9534 5.9967 6.1107 6.1912 6.2238 6.2642 6.2841 6.3352 6.3679 6.4059 6.4466 6.5406 6.5611 6.5920 6.6799 6.7068 6.7495 6.8345 6.8611 6.9090 6.9487 6.9984 7.0500 7.0581 7.1269 7.1635 7.2094 7.2841 7.3165 7.3796 7.4197 7.5090 7.5744 7.5919 7.6650 7.6884 7.7283 7.8075 7.8840 7.9056 7.9343 8.0115 8.0366 8.0997 8.1716 8.2122 8.2367 8.2724 8.2904 8.3259 8.3473 8.3862 8.4613 8.5180 8.5740 8.6134 8.6444 8.7064 8.7517 8.8108 8.8306 8.9233 8.9389 8.9794 9.0891 9.1465 9.2080 9.2441 9.2921 9.3628 9.3802 9.4318 9.4559 9.5036 9.5481 9.5930 9.6599 9.6962 9.7284 9.7958 9.8289 9.8570 9.9442 9.9592 9.9976 10.0257 10.0446 10.1145 10.1641 10.2010 10.2555 10.3393 10.3702 10.4097 10.4317 10.4594 10.4906 10.5067 10.5267 10.5715 10.6172 10.6596 10.6944 10.7274 10.7528 10.7711 10.8083 10.8319 10.8503 10.8740 10.9140 10.9436 10.9702 10.9808 11.0258 11.0569 -17.1429 -9.5958 -9.5628 -9.2089 -8.6330 -8.3269 -8.1634 -8.0680 -7.6586 -7.5100 -7.4498 -7.0747 -6.8704 -6.8035 -6.7825 -6.7676 -6.6788 -6.6546 -6.5935 -6.5412 -6.4583 -6.3522 -6.3400 -6.2665 -6.2324 -6.2059 -6.1843 -6.1651 -6.1200 -6.0685 -6.0430 -5.9867 -5.9611 -5.9400 -5.9196 -5.9013 -5.8718 -5.8545 -5.8312 -5.7829 -5.7625 -5.7512 -5.7396 -5.7145 -5.6958 -5.6946 -5.6374 -5.6059 -5.5999 -5.5831 -5.5730 -5.5694 -5.5651 -5.5536 -5.5443 -5.5357 -5.4904 -5.4858 -5.4610 -5.4506 -5.4449 -5.4336 -5.4230 -5.4118 -5.3834 -5.3624 -5.3597 -5.3504 -5.3332 -5.3242 -5.3182 -5.3045 -5.2922 -5.2769 -5.2618 -5.2366 -5.2257 -5.1978 -5.1902 -5.1480 -5.1453 -5.1419 -5.1349 -5.1247 -5.1204 -5.1133 -5.1041 -5.0833 -5.0775 -5.0738 -5.0437 -5.0242 -5.0215 -4.9981 -4.9869 -4.9790 -4.9631 -4.9031 -4.8978 -4.8839 -4.8754 -4.8702 -4.8631 -4.8323 -4.8016 -4.7890 -4.7859 -4.7774 -4.7712 -4.7605 -4.7428 -4.7385 -4.7303 -4.7276 -4.7112 -4.6883 -4.6799 -4.6639 -4.6584 -4.6521 -4.6455 -4.6439 -4.6323 -4.6167 -4.6062 -4.5894 -4.5803 -4.5604 -4.5491 -4.5414 -4.5373 -4.5322 -4.5288 -4.5256 -4.5165 -4.5131 -4.5065 -4.5019 -4.4950 -4.4897 -4.4861 -4.4808 -4.4772 -4.4711 -4.4660 -4.4611 -4.4572 -4.4546 -4.4371 -4.4265 -4.4218 -4.4127 -4.4084 -4.3996 -4.3979 -4.3886 -4.3857 -4.3798 -4.3754 -4.3709 -4.3674 -4.3640 -4.3625 -4.3554 -4.3491 -4.3483 -4.3422 -4.3339 -4.3279 -4.3236 -4.3156 -4.3129 -4.2954 -4.2799 -4.2731 -4.2669 -4.2549 -4.2419 -4.2340 -4.2293 -4.2172 -4.2125 -4.2110 -4.2079 -4.2058 -4.2024 -4.1970 -4.1887 -4.1816 -4.1515 -4.1417 -4.1365 -4.1313 -4.1236 -4.1204 -4.1014 -4.0851 -4.0623 -4.0504 -4.0475 -4.0234 -4.0161 -3.9893 -3.9824 -3.9738 -3.9734 -3.9650 -3.9613 -3.9589 -3.9513 -3.9488 -3.9414 -3.9330 -3.9305 -3.9266 -3.9137 -3.9049 -3.8921 -3.8885 -3.8817 -3.8776 -3.8757 -3.8689 -3.8652 -3.8535 -3.8482 -3.8397 -3.8358 -3.8308 -3.8250 -3.8180 -3.8064 -3.7998 -3.7844 -3.7818 -3.7746 -3.7634 -3.7373 -3.7255 -3.7194 -3.7138 -3.7053 -3.7015 -3.6894 -3.6814 -3.6756 -3.6653 -3.6642 -3.6590 -3.6485 -3.6384 -3.6241 -3.6109 -3.6060 -3.6038 -3.5965 -3.5856 -3.5835 -3.5792 -3.5784 -3.5650 -3.5591 -3.5501 -3.5463 -3.5374 -3.5327 -3.5270 -3.5151 -3.5090 -3.4941 -3.4872 -3.4802 -3.4716 -3.4636 -3.4594 -3.4561 -3.4514 -3.4419 -3.4385 -3.4353 -3.4329 -3.4301 -3.4203 -3.4188 -3.4173 -3.4095 -3.4079 -3.4019 -3.3868 -3.3838 -3.3782 -3.3734 -3.3666 -3.3598 -3.3498 -3.3455 -3.3323 -3.3294 -3.3244 -3.3172 -3.3079 -3.3046 -3.3026 -3.3004 -3.2948 -3.2942 -3.2916 -3.2870 -3.2834 -3.2804 -3.2780 -3.2748 -3.2738 -3.2682 -3.2621 -3.2573 -3.2466 -3.2422 -3.2387 -3.2291 -3.2261 -3.2213 -3.2170 -3.2079 -3.1999 -3.1971 -3.1882 -3.1844 -3.1769 -3.1688 -3.1587 -3.1515 -3.1416 -3.1373 -3.1295 -3.1110 -3.0766 -3.0589 -3.0172 -3.0002 -2.9533 -2.9355 -2.8717 -2.7453 -2.6834 -2.6562 -2.6117 -2.4836 -2.4587 -2.4257 -2.2249 -2.0420 -1.9986 -1.9599 -1.8681 -1.7812 -1.5702 -1.3595 -1.3533 -1.1686 -1.1435 -0.8626 -0.8412 -0.7890 -0.5526 -0.5058 -0.4878 -0.3821 -0.1581 -0.1043 0.0264 0.0526 0.1362 0.2765 0.4477 0.6226 0.6671 0.8854 0.9571 1.0579 1.1218 1.1731 1.1957 1.2612 1.3793 1.5577 1.5990 1.6137 1.6327 1.7737 2.2184 2.3746 2.4508 2.7247 2.7619 2.7764 2.8122 2.8667 2.9875 3.0409 3.0662 3.1029 3.2009 3.3234 3.4434 3.4704 3.4903 3.5307 3.6451 3.6754 3.8352 3.8687 3.9456 4.0105 4.0679 4.1762 4.2371 4.2704 4.3109 4.4027 4.5730 4.6026 4.6176 4.6694 4.6922 4.7327 4.7667 4.7905 4.8741 4.8915 4.9373 4.9888 5.0051 5.0426 5.1006 5.1794 5.2152 5.2463 5.3688 5.4233 5.4653 5.6568 5.7277 5.8511 5.9402 5.9956 6.1266 6.1810 6.2274 6.2569 6.3151 6.3376 6.3724 6.4154 6.4564 6.5056 6.5918 6.6335 6.6624 6.6955 6.7663 6.8336 6.8449 6.8869 6.9637 6.9923 7.0288 7.0668 7.1254 7.1511 7.2228 7.2685 7.3091 7.3786 7.3877 7.4963 7.5780 7.6157 7.6733 7.7054 7.7412 7.7655 7.9146 7.9305 7.9457 8.0110 8.0408 8.1181 8.1599 8.1920 8.2520 8.2758 8.3082 8.3284 8.3470 8.4095 8.4548 8.4910 8.5481 8.6037 8.6332 8.6800 8.7572 8.7856 8.8362 8.9151 8.9268 9.0232 9.0730 9.1297 9.2114 9.2530 9.2914 9.3639 9.3925 9.4096 9.4652 9.4817 9.5357 9.5760 9.6424 9.7119 9.7222 9.7382 9.8271 9.8860 9.9418 9.9780 9.9809 10.0284 10.1186 10.1527 10.1685 10.2210 10.2737 10.3210 10.3644 10.4178 10.4340 10.4518 10.4806 10.5074 10.5185 10.5889 10.6057 10.6617 10.6907 10.7187 10.7386 10.7699 10.8105 10.8259 10.8643 10.8827 10.9206 10.9475 10.9632 10.9975 11.0189 11.0504 -17.1429 -9.8808 -9.1687 -9.1138 -8.7562 -8.2694 -8.0758 -8.0389 -7.9260 -7.5760 -7.2387 -7.2141 -7.1018 -7.0209 -6.9222 -6.8192 -6.6587 -6.4845 -6.4536 -6.3833 -6.3528 -6.3394 -6.3269 -6.3208 -6.2843 -6.1874 -6.1139 -6.1056 -6.1012 -6.0622 -6.0232 -5.9949 -5.9603 -5.9330 -5.8930 -5.8590 -5.8187 -5.8033 -5.7928 -5.7877 -5.7731 -5.7546 -5.7440 -5.7373 -5.6890 -5.6611 -5.6563 -5.6437 -5.6361 -5.6136 -5.5950 -5.5839 -5.5541 -5.5183 -5.5085 -5.5047 -5.4984 -5.4737 -5.4631 -5.4614 -5.4580 -5.4510 -5.4468 -5.4390 -5.4269 -5.4171 -5.4009 -5.3954 -5.3793 -5.3527 -5.2900 -5.2598 -5.2324 -5.2256 -5.2138 -5.2096 -5.2072 -5.1980 -5.1908 -5.1767 -5.1644 -5.1602 -5.1310 -5.1172 -5.1125 -5.1089 -5.0680 -5.0573 -5.0512 -5.0448 -5.0151 -5.0014 -4.9810 -4.9784 -4.9692 -4.9635 -4.9555 -4.9494 -4.9312 -4.9212 -4.8870 -4.8840 -4.8657 -4.8558 -4.8405 -4.8211 -4.8127 -4.7900 -4.7619 -4.7551 -4.7517 -4.7504 -4.7351 -4.7286 -4.6966 -4.6802 -4.6722 -4.6670 -4.6610 -4.6544 -4.6445 -4.6396 -4.6338 -4.6257 -4.6218 -4.6147 -4.6056 -4.5860 -4.5810 -4.5719 -4.5710 -4.5500 -4.5469 -4.5431 -4.5356 -4.5306 -4.5271 -4.5022 -4.4960 -4.4813 -4.4721 -4.4669 -4.4621 -4.4558 -4.4505 -4.4421 -4.4340 -4.4293 -4.4218 -4.4185 -4.4096 -4.4063 -4.4040 -4.4013 -4.3975 -4.3904 -4.3779 -4.3685 -4.3647 -4.3631 -4.3576 -4.3559 -4.3492 -4.3409 -4.3297 -4.3264 -4.3167 -4.3067 -4.3030 -4.2959 -4.2922 -4.2832 -4.2733 -4.2647 -4.2585 -4.2488 -4.2402 -4.2307 -4.2280 -4.2231 -4.2162 -4.2129 -4.2057 -4.2035 -4.1976 -4.1933 -4.1907 -4.1864 -4.1817 -4.1763 -4.1671 -4.1611 -4.1339 -4.1211 -4.1097 -4.1014 -4.0887 -4.0845 -4.0746 -4.0620 -4.0518 -4.0408 -4.0315 -4.0272 -4.0180 -4.0003 -3.9938 -3.9902 -3.9798 -3.9758 -3.9690 -3.9635 -3.9570 -3.9533 -3.9469 -3.9387 -3.9304 -3.9281 -3.9224 -3.9097 -3.9072 -3.9044 -3.9002 -3.8952 -3.8899 -3.8863 -3.8836 -3.8741 -3.8616 -3.8347 -3.8213 -3.8183 -3.8087 -3.7933 -3.7846 -3.7801 -3.7739 -3.7517 -3.7270 -3.7057 -3.6984 -3.6878 -3.6795 -3.6784 -3.6727 -3.6595 -3.6553 -3.6477 -3.6446 -3.6436 -3.6347 -3.6253 -3.6233 -3.6167 -3.6085 -3.6028 -3.6006 -3.5939 -3.5899 -3.5832 -3.5752 -3.5698 -3.5643 -3.5585 -3.5528 -3.5453 -3.5428 -3.5336 -3.5268 -3.5226 -3.5153 -3.5083 -3.4994 -3.4903 -3.4807 -3.4744 -3.4688 -3.4612 -3.4586 -3.4549 -3.4485 -3.4447 -3.4404 -3.4215 -3.4134 -3.4112 -3.4087 -3.3984 -3.3956 -3.3894 -3.3803 -3.3691 -3.3614 -3.3538 -3.3472 -3.3428 -3.3349 -3.3290 -3.3223 -3.3146 -3.3115 -3.3032 -3.3000 -3.2919 -3.2876 -3.2836 -3.2802 -3.2760 -3.2719 -3.2695 -3.2636 -3.2595 -3.2505 -3.2458 -3.2419 -3.2396 -3.2386 -3.2372 -3.2306 -3.2291 -3.2267 -3.2208 -3.2174 -3.2130 -3.2050 -3.1911 -3.1862 -3.1747 -3.1741 -3.1657 -3.1582 -3.1560 -3.1499 -3.1475 -3.1337 -3.1125 -3.0927 -3.0871 -3.0596 -2.9930 -2.8910 -2.8419 -2.6878 -2.5558 -2.4745 -2.4501 -2.4391 -2.4228 -2.3982 -2.2543 -2.0777 -1.9672 -1.9457 -1.8724 -1.8275 -1.7321 -1.5657 -1.4383 -1.2997 -1.1573 -1.0483 -0.8467 -0.8404 -0.7082 -0.5845 -0.5439 -0.4500 -0.4181 -0.3930 -0.2477 -0.0916 -0.0484 0.0611 0.1534 0.2337 0.2994 0.3664 0.5042 0.6707 0.8889 1.0869 1.1934 1.2295 1.2920 1.3604 1.5221 1.6277 1.7171 1.9311 2.0330 2.0471 2.4420 2.5163 2.6032 2.7369 2.8269 2.9042 2.9717 3.0533 3.0900 3.1016 3.1555 3.1754 3.2583 3.3040 3.3734 3.4870 3.5506 3.6071 3.7208 3.8325 4.0092 4.0236 4.1145 4.1427 4.1648 4.2163 4.3080 4.3781 4.4226 4.5137 4.5713 4.5977 4.6424 4.6949 4.7741 4.8290 4.8460 4.9475 4.9706 5.0361 5.1036 5.1139 5.1615 5.2546 5.3439 5.4446 5.5307 5.5584 5.5773 5.6665 5.6825 5.8143 5.8735 5.9254 5.9783 5.9929 6.0566 6.0979 6.1346 6.1774 6.1971 6.2286 6.2625 6.4570 6.5215 6.6090 6.6709 6.7665 6.8332 6.8613 6.9221 6.9820 7.0683 7.1137 7.1958 7.2386 7.2718 7.2990 7.3579 7.3712 7.3931 7.4223 7.4337 7.4525 7.4707 7.5071 7.5354 7.5588 7.5876 7.6421 7.6568 7.7035 7.7231 7.7400 7.8728 7.9044 7.9657 8.0047 8.0529 8.0835 8.1326 8.2044 8.2361 8.2876 8.2947 8.3413 8.3925 8.5791 8.6061 8.6805 8.7619 8.8286 8.8735 8.8853 8.9378 8.9567 8.9925 9.0254 9.1236 9.1462 9.2025 9.2846 9.3188 9.3524 9.3701 9.4287 9.4635 9.5170 9.5439 9.5608 9.5893 9.6035 9.6252 9.6437 9.6668 9.7052 9.7382 9.8027 9.8572 9.8985 9.9169 9.9485 10.0089 10.0688 10.1075 10.1675 10.2187 10.2591 10.3348 10.3495 10.3665 10.4022 10.4250 10.4646 10.5164 10.5390 10.5576 10.6459 10.6713 10.7097 10.7676 10.8466 10.9016 10.9287 10.9817 11.0171 11.0731 11.0770 11.1719 -17.1429 -9.8056 -9.4310 -8.8118 -8.6820 -8.6274 -8.3092 -7.8696 -7.5472 -7.4470 -7.4170 -7.3016 -6.9993 -6.9539 -6.8829 -6.8464 -6.6961 -6.5725 -6.5126 -6.4666 -6.4045 -6.3505 -6.2482 -6.2059 -6.1867 -6.1770 -6.1416 -6.1325 -6.0904 -6.0548 -6.0489 -6.0299 -6.0113 -6.0014 -5.9383 -5.9100 -5.8840 -5.8497 -5.8221 -5.7752 -5.7156 -5.6866 -5.6652 -5.6510 -5.6449 -5.6385 -5.6321 -5.6219 -5.6117 -5.6005 -5.5985 -5.5918 -5.5832 -5.5754 -5.5672 -5.5528 -5.5362 -5.5187 -5.5111 -5.4900 -5.4784 -5.4339 -5.4175 -5.4117 -5.3989 -5.3777 -5.3689 -5.3643 -5.3623 -5.3537 -5.3242 -5.2947 -5.2783 -5.2690 -5.2392 -5.1909 -5.1864 -5.1744 -5.1615 -5.1606 -5.1467 -5.1282 -5.1109 -5.1056 -5.0945 -5.0886 -5.0840 -5.0777 -5.0677 -5.0529 -5.0327 -5.0094 -5.0058 -4.9995 -4.9905 -4.9765 -4.9642 -4.9072 -4.9053 -4.8906 -4.8843 -4.8821 -4.8790 -4.8591 -4.8523 -4.8436 -4.8305 -4.8184 -4.7857 -4.7801 -4.7494 -4.7236 -4.7146 -4.7110 -4.6996 -4.6930 -4.6849 -4.6782 -4.6745 -4.6614 -4.6548 -4.6419 -4.6310 -4.6232 -4.5948 -4.5909 -4.5835 -4.5665 -4.5619 -4.5543 -4.5448 -4.5393 -4.5308 -4.5273 -4.5234 -4.5137 -4.5077 -4.4967 -4.4901 -4.4682 -4.4666 -4.4565 -4.4519 -4.4419 -4.4380 -4.4288 -4.4233 -4.4186 -4.4133 -4.4108 -4.4033 -4.4014 -4.4000 -4.3893 -4.3862 -4.3830 -4.3730 -4.3693 -4.3658 -4.3584 -4.3568 -4.3490 -4.3434 -4.3403 -4.3363 -4.3316 -4.3285 -4.3248 -4.3239 -4.3192 -4.3150 -4.3002 -4.2948 -4.2884 -4.2828 -4.2816 -4.2738 -4.2590 -4.2491 -4.2446 -4.2392 -4.2268 -4.2236 -4.2101 -4.2044 -4.1979 -4.1937 -4.1903 -4.1814 -4.1764 -4.1571 -4.1520 -4.1438 -4.1378 -4.1179 -4.1104 -4.0990 -4.0961 -4.0925 -4.0878 -4.0716 -4.0646 -4.0399 -4.0142 -4.0049 -3.9950 -3.9854 -3.9782 -3.9676 -3.9623 -3.9587 -3.9504 -3.9435 -3.9391 -3.9321 -3.9317 -3.9283 -3.9257 -3.9167 -3.9136 -3.9086 -3.9066 -3.8975 -3.8774 -3.8634 -3.8401 -3.8263 -3.8174 -3.8160 -3.8061 -3.7991 -3.7976 -3.7917 -3.7890 -3.7829 -3.7705 -3.7637 -3.7427 -3.7209 -3.7122 -3.6959 -3.6910 -3.6832 -3.6767 -3.6726 -3.6699 -3.6622 -3.6595 -3.6487 -3.6415 -3.6367 -3.6325 -3.6233 -3.6187 -3.6116 -3.6085 -3.6047 -3.5995 -3.5850 -3.5819 -3.5767 -3.5690 -3.5601 -3.5562 -3.5503 -3.5407 -3.5339 -3.5219 -3.5166 -3.5119 -3.5085 -3.4993 -3.4912 -3.4826 -3.4764 -3.4641 -3.4595 -3.4536 -3.4481 -3.4414 -3.4389 -3.4344 -3.4227 -3.4187 -3.4031 -3.3928 -3.3837 -3.3759 -3.3738 -3.3679 -3.3651 -3.3579 -3.3535 -3.3435 -3.3398 -3.3353 -3.3304 -3.3263 -3.3224 -3.3181 -3.3136 -3.3075 -3.2983 -3.2947 -3.2921 -3.2883 -3.2859 -3.2814 -3.2776 -3.2725 -3.2679 -3.2643 -3.2550 -3.2499 -3.2447 -3.2397 -3.2340 -3.2287 -3.2255 -3.2194 -3.2179 -3.2157 -3.2125 -3.2112 -3.2082 -3.2027 -3.1914 -3.1846 -3.1805 -3.1696 -3.1601 -3.1473 -3.1334 -3.1310 -3.1199 -3.1174 -3.1025 -3.0981 -3.0806 -3.0225 -2.9321 -2.8989 -2.8905 -2.8085 -2.7216 -2.6546 -2.5672 -2.4493 -2.2517 -2.0790 -1.9514 -1.8257 -1.7495 -1.7366 -1.7217 -1.6970 -1.5837 -1.4935 -1.3530 -1.2351 -1.0820 -1.0749 -1.0435 -1.0081 -0.9771 -0.9217 -0.6387 -0.3426 -0.0415 0.1800 0.2144 0.2227 0.2362 0.2523 0.3188 0.4271 0.5958 0.7552 0.8334 0.8903 0.9958 1.0321 1.1292 1.1608 1.2131 1.4806 1.6882 1.7546 1.9402 1.9858 2.3022 2.3704 2.4039 2.5640 2.6219 2.7864 2.8596 2.9089 2.9479 3.0428 3.2399 3.2735 3.2828 3.3101 3.3339 3.3848 3.4329 3.4981 3.5300 3.5986 3.7444 3.8451 3.9513 4.0190 4.0380 4.1183 4.2234 4.4101 4.4498 4.4851 4.5301 4.5567 4.5844 4.6326 4.6857 4.7581 4.7741 4.8009 4.8422 4.9510 5.1010 5.1580 5.1784 5.2041 5.3260 5.3740 5.4504 5.4663 5.4911 5.5590 5.5938 5.6803 5.7042 5.7848 5.9861 6.0109 6.0408 6.0911 6.1113 6.1384 6.1759 6.2558 6.3120 6.3921 6.4003 6.4683 6.4933 6.5755 6.6569 6.7433 6.7561 6.8590 6.9010 6.9960 7.0489 7.1181 7.1628 7.2138 7.2764 7.2974 7.3153 7.3641 7.3939 7.4133 7.4534 7.4918 7.5731 7.6830 7.7159 7.7326 7.7799 7.8103 7.8764 7.9071 7.9461 7.9828 8.0337 8.0503 8.0855 8.1110 8.1443 8.1714 8.1911 8.2408 8.2870 8.3252 8.3511 8.3716 8.4109 8.4249 8.5032 8.5535 8.6103 8.7164 8.7866 8.8409 8.9321 9.0164 9.0398 9.1150 9.1674 9.2027 9.2437 9.2952 9.3244 9.3487 9.4623 9.5019 9.5461 9.6024 9.6467 9.6962 9.7066 9.7330 9.7631 9.7930 9.8502 9.8781 9.9210 9.9764 10.0191 10.0521 10.0850 10.1073 10.1431 10.1620 10.2115 10.2320 10.2557 10.2726 10.2875 10.3037 10.3294 10.3697 10.3888 10.4190 10.5060 10.5945 10.6452 10.7593 10.7868 10.8381 10.8735 10.9257 10.9573 11.0472 11.0666 11.0856 11.1086 11.1213 -17.1429 -9.6013 -9.5580 -9.2079 -8.6352 -8.3323 -8.1560 -8.0611 -7.6644 -7.5152 -7.4418 -7.0647 -6.9200 -6.7968 -6.7867 -6.7125 -6.6631 -6.6534 -6.6258 -6.5572 -6.4329 -6.3580 -6.3376 -6.2774 -6.2491 -6.2041 -6.1874 -6.1591 -6.0942 -6.0659 -6.0465 -5.9929 -5.9598 -5.9447 -5.9296 -5.9142 -5.8772 -5.8716 -5.8186 -5.7707 -5.7571 -5.7502 -5.7404 -5.7071 -5.7000 -5.6923 -5.6333 -5.6051 -5.5977 -5.5823 -5.5724 -5.5681 -5.5630 -5.5582 -5.5449 -5.5351 -5.4910 -5.4865 -5.4626 -5.4506 -5.4458 -5.4322 -5.4224 -5.4117 -5.3800 -5.3708 -5.3582 -5.3530 -5.3319 -5.3240 -5.3143 -5.3090 -5.2942 -5.2780 -5.2609 -5.2420 -5.2170 -5.1995 -5.1901 -5.1490 -5.1453 -5.1410 -5.1338 -5.1230 -5.1185 -5.1078 -5.1065 -5.0918 -5.0786 -5.0575 -5.0517 -5.0349 -5.0132 -5.0007 -4.9871 -4.9795 -4.9653 -4.8989 -4.8964 -4.8842 -4.8776 -4.8685 -4.8650 -4.8343 -4.7976 -4.7922 -4.7834 -4.7796 -4.7702 -4.7625 -4.7442 -4.7358 -4.7332 -4.7235 -4.7065 -4.6906 -4.6789 -4.6614 -4.6574 -4.6517 -4.6504 -4.6451 -4.6316 -4.6160 -4.6068 -4.5895 -4.5834 -4.5589 -4.5488 -4.5478 -4.5349 -4.5288 -4.5262 -4.5226 -4.5210 -4.5130 -4.5069 -4.5032 -4.4959 -4.4885 -4.4843 -4.4783 -4.4764 -4.4731 -4.4647 -4.4606 -4.4558 -4.4539 -4.4363 -4.4250 -4.4208 -4.4149 -4.4093 -4.4068 -4.3913 -4.3891 -4.3876 -4.3799 -4.3738 -4.3712 -4.3694 -4.3657 -4.3624 -4.3583 -4.3487 -4.3468 -4.3434 -4.3351 -4.3264 -4.3240 -4.3184 -4.3103 -4.2992 -4.2851 -4.2753 -4.2709 -4.2494 -4.2382 -4.2342 -4.2300 -4.2202 -4.2147 -4.2087 -4.2068 -4.2034 -4.1970 -4.1966 -4.1934 -4.1781 -4.1628 -4.1483 -4.1398 -4.1350 -4.1219 -4.1124 -4.1029 -4.0814 -4.0521 -4.0479 -4.0424 -4.0288 -4.0195 -3.9885 -3.9813 -3.9768 -3.9718 -3.9688 -3.9613 -3.9571 -3.9511 -3.9474 -3.9409 -3.9352 -3.9293 -3.9218 -3.9163 -3.9072 -3.8994 -3.8914 -3.8843 -3.8776 -3.8710 -3.8649 -3.8586 -3.8557 -3.8465 -3.8445 -3.8311 -3.8286 -3.8214 -3.8172 -3.8040 -3.7985 -3.7887 -3.7828 -3.7762 -3.7575 -3.7343 -3.7265 -3.7177 -3.7113 -3.7056 -3.7007 -3.6964 -3.6746 -3.6724 -3.6666 -3.6617 -3.6553 -3.6523 -3.6452 -3.6265 -3.6115 -3.6096 -3.6006 -3.5900 -3.5865 -3.5820 -3.5798 -3.5754 -3.5659 -3.5613 -3.5525 -3.5484 -3.5418 -3.5326 -3.5253 -3.5161 -3.5044 -3.4994 -3.4904 -3.4789 -3.4679 -3.4667 -3.4616 -3.4563 -3.4477 -3.4415 -3.4400 -3.4339 -3.4299 -3.4251 -3.4223 -3.4206 -3.4156 -3.4107 -3.4075 -3.4028 -3.3899 -3.3827 -3.3783 -3.3699 -3.3658 -3.3594 -3.3518 -3.3416 -3.3322 -3.3265 -3.3246 -3.3164 -3.3112 -3.3066 -3.3037 -3.3020 -3.2960 -3.2935 -3.2897 -3.2862 -3.2828 -3.2805 -3.2767 -3.2740 -3.2719 -3.2685 -3.2650 -3.2544 -3.2510 -3.2457 -3.2376 -3.2287 -3.2282 -3.2246 -3.2142 -3.2051 -3.2009 -3.1980 -3.1916 -3.1876 -3.1729 -3.1672 -3.1589 -3.1516 -3.1423 -3.1362 -3.1273 -3.1143 -3.0833 -3.0632 -3.0135 -3.0041 -2.9432 -2.9349 -2.8665 -2.7503 -2.6756 -2.6711 -2.6079 -2.4952 -2.4556 -2.3916 -2.2481 -2.0421 -2.0074 -1.9428 -1.8989 -1.7490 -1.5670 -1.3932 -1.3164 -1.2005 -1.1047 -0.8840 -0.8354 -0.7619 -0.5635 -0.5292 -0.4784 -0.3222 -0.1975 -0.1139 -0.0311 0.0327 0.0975 0.3319 0.5118 0.5997 0.6681 0.8534 1.0164 1.0623 1.1223 1.1513 1.1910 1.2762 1.3789 1.5093 1.5786 1.5978 1.6612 1.8101 2.2044 2.3276 2.5278 2.6987 2.7461 2.7818 2.8042 2.8848 2.9826 3.0413 3.0888 3.1214 3.1992 3.3004 3.4568 3.4722 3.4901 3.5332 3.6249 3.7057 3.8273 3.8741 3.9356 3.9991 4.0707 4.1703 4.2102 4.2857 4.3303 4.3858 4.5608 4.5920 4.6050 4.6384 4.6813 4.7287 4.7489 4.7759 4.8560 4.9254 4.9582 4.9967 5.0318 5.1000 5.1271 5.1680 5.2021 5.2360 5.3520 5.4132 5.4535 5.6492 5.7245 5.9248 5.9679 6.1076 6.1309 6.1638 6.1840 6.2630 6.3000 6.3337 6.3666 6.3947 6.4462 6.4840 6.5560 6.5743 6.6174 6.6346 6.7054 6.8165 6.8688 6.8824 6.9617 6.9829 7.0685 7.1110 7.1615 7.1984 7.2747 7.3016 7.3314 7.4037 7.4773 7.5066 7.5793 7.6247 7.6505 7.7305 7.7806 7.8409 7.8636 7.9157 7.9447 7.9512 7.9684 8.0059 8.0526 8.1013 8.1966 8.2425 8.2558 8.3379 8.3989 8.4398 8.5010 8.5538 8.5841 8.6546 8.7287 8.7573 8.8361 8.8631 8.9004 8.9636 8.9873 9.0640 9.0998 9.1361 9.1568 9.2155 9.2341 9.3416 9.3632 9.3960 9.4410 9.4761 9.5053 9.5148 9.6034 9.6227 9.6875 9.7448 9.8637 9.9082 9.9482 9.9976 10.0110 10.0323 10.0368 10.0696 10.1051 10.1262 10.1742 10.2203 10.3002 10.3324 10.3864 10.3983 10.4314 10.4524 10.4789 10.5043 10.5385 10.6763 10.6969 10.7452 10.7588 10.8308 10.8855 10.9162 10.9590 10.9905 11.0299 11.0555 11.0897 11.1036 11.1182 11.1526</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 1.00001 1.01077 0.99149 0.99121 0.98478 0.97815 0.96999 0.93198 0.67445 0.63536 0.34666 -0.02554 -0.00154 -0.00131 -0.00073 -0.00052 -0.00025 -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 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 1.00005 1.00076 1.00800 1.02333 1.02882 0.97123 0.93937 0.69212 0.53523 -0.01929 -0.01377 -0.00348 -0.00061 -0.00031 -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 0.00000 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 1.00005 1.00028 1.00735 1.02583 1.01456 0.98267 0.94132 0.75331 0.36925 0.02788 -0.02795 -0.00125 -0.00064 -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 0.00000 0.00000 0.00000 0.00000 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 1.00003 1.00193 1.01364 1.03381 0.97936 0.96727 0.93325 0.88582 0.41898 0.11880 -0.03490 -0.01197 -0.00091 -0.00075 -0.00034 -0.00024 -0.00008 -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 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 1.00228 1.02515 1.03037 0.97374 0.96389 0.91142 0.85899 0.63395 0.06411 -0.03424 -0.01822 -0.00115 -0.00062 -0.00040 -0.00025 -0.00003 -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 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 1.00004 1.00092 1.00838 1.02580 1.03135 0.97967 0.92473 0.72761 0.45428 -0.00356 -0.01496 -0.00309 -0.00069 -0.00025 -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 0.00000 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 1.00390 1.01259 1.02273 1.03197 1.03468 0.98613 0.30596 0.01485 -0.03417 -0.00107 -0.00026 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 1.00002 1.00167 1.01292 1.01722 1.03306 1.03525 0.96819 0.39186 0.01591 -0.02704 -0.00386 -0.00046 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 1.00003 1.00387 1.00752 1.01565 1.02359 0.96259 0.42969 -0.02759 -0.03164 -0.00682 -0.00176 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 1.00004 1.00353 1.00763 1.01364 1.03306 1.01588 0.39294 -0.03514 -0.03543 -0.00503 -0.00315 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 1.00002 1.00171 1.01232 1.01642 1.03235 1.03473 0.95352 0.37481 0.01338 -0.02853 -0.00410 -0.00038 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 1.00002 1.00167 1.01527 1.03451 0.98163 0.96142 0.93297 0.87367 0.44935 0.12407 -0.03544 -0.01433 -0.00085 -0.00072 -0.00033 -0.00013 -0.00006 -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 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 1.00002 1.00352 1.00658 1.01703 1.02693 0.98094 0.37981 -0.02637 -0.03191 -0.00863 -0.00141 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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">-17.1429 -10.1109 -8.9730 -8.4618 -8.2921 -8.2845 -8.2825 -8.2714 -8.2681 -7.9105 -7.3191 -7.2150 -7.2106 -7.1955 -7.1878 -7.1835 -6.7662 -6.5500 -6.3459 -6.2339 -6.2140 -6.2002 -6.1381 -6.1141 -6.0947 -6.0857 -6.0371 -5.9802 -5.9778 -5.9430 -5.9366 -5.9313 -5.9274 -5.9136 -5.9109 -5.8826 -5.8228 -5.8081 -5.7490 -5.7302 -5.7230 -5.7215 -5.7008 -5.6962 -5.6912 -5.6869 -5.6838 -5.6616 -5.6319 -5.6007 -5.5973 -5.5931 -5.5823 -5.5760 -5.5715 -5.5685 -5.5525 -5.5507 -5.5466 -5.5440 -5.5429 -5.5386 -5.5083 -5.4560 -5.4417 -5.3757 -5.2624 -5.2599 -5.2571 -5.2555 -5.2534 -5.2445 -5.2367 -5.2338 -5.2323 -5.2320 -5.2226 -5.2181 -5.2095 -5.2000 -5.1880 -5.1653 -5.1634 -5.1599 -5.1565 -5.1434 -5.1168 -4.9845 -4.9791 -4.9728 -4.9689 -4.9617 -4.9527 -4.9341 -4.9311 -4.9254 -4.9204 -4.9186 -4.9123 -4.8996 -4.8972 -4.8917 -4.8893 -4.8869 -4.8682 -4.8554 -4.8534 -4.8518 -4.8470 -4.8455 -4.8427 -4.7333 -4.7268 -4.7187 -4.7174 -4.7132 -4.7065 -4.7021 -4.6809 -4.6743 -4.6621 -4.6560 -4.6545 -4.6530 -4.6445 -4.6368 -4.5823 -4.5793 -4.5766 -4.5671 -4.5563 -4.5542 -4.5519 -4.5496 -4.5409 -4.5369 -4.5256 -4.5072 -4.5064 -4.4669 -4.4634 -4.4553 -4.4482 -4.4450 -4.4390 -4.4357 -4.4346 -4.4316 -4.4298 -4.4228 -4.3859 -4.3720 -4.3578 -4.3476 -4.3411 -4.3347 -4.3324 -4.3249 -4.3223 -4.3106 -4.3068 -4.3001 -4.2966 -4.2911 -4.2883 -4.2862 -4.2832 -4.2806 -4.2788 -4.2755 -4.2747 -4.2739 -4.2715 -4.2693 -4.2677 -4.2649 -4.2639 -4.2623 -4.2575 -4.2525 -4.2431 -4.2336 -4.2259 -4.2205 -4.2185 -4.2162 -4.2159 -4.2135 -4.2101 -4.2086 -4.2046 -4.2040 -4.2011 -4.1912 -4.1819 -4.1761 -4.1552 -4.1436 -4.1410 -4.1394 -4.1352 -4.1331 -4.1286 -4.0289 -4.0211 -4.0146 -4.0089 -4.0031 -4.0026 -3.9996 -3.9898 -3.9858 -3.9832 -3.9710 -3.9576 -3.9498 -3.9467 -3.9449 -3.9424 -3.9381 -3.9345 -3.9208 -3.9067 -3.9047 -3.9029 -3.8983 -3.8965 -3.8965 -3.8703 -3.8530 -3.8412 -3.8337 -3.8252 -3.8127 -3.7865 -3.7672 -3.7624 -3.7564 -3.7497 -3.7481 -3.7366 -3.7340 -3.7292 -3.7230 -3.7153 -3.7087 -3.7043 -3.6950 -3.6900 -3.6775 -3.6739 -3.6660 -3.6641 -3.6606 -3.6542 -3.6416 -3.6412 -3.6361 -3.6350 -3.6259 -3.6205 -3.6116 -3.6042 -3.6004 -3.5940 -3.5870 -3.5844 -3.5798 -3.5781 -3.5743 -3.5718 -3.5678 -3.5518 -3.5474 -3.5449 -3.5441 -3.5427 -3.5364 -3.5303 -3.5262 -3.5152 -3.5039 -3.5019 -3.4561 -3.4292 -3.4205 -3.4099 -3.3947 -3.3830 -3.3817 -3.3756 -3.3683 -3.3622 -3.3612 -3.3456 -3.3263 -3.3169 -3.3155 -3.2942 -3.2891 -3.2852 -3.2831 -3.2772 -3.2610 -3.2541 -3.2526 -3.2391 -3.2347 -3.2343 -3.2327 -3.2317 -3.2175 -3.2153 -3.2118 -3.2112 -3.2074 -3.2056 -3.2016 -3.1996 -3.1986 -3.1950 -3.1870 -3.1685 -3.1648 -3.1619 -3.1546 -3.1528 -3.1418 -3.1356 -3.1344 -3.1278 -3.1228 -3.1036 -3.0516 -3.0450 -3.0311 -2.9904 -2.9890 -2.9886 -2.8792 -2.6732 -2.6654 -2.6581 -2.6140 -2.5402 -2.2890 -1.9765 -1.7568 -1.7566 -1.7517 -1.7470 -1.7417 -1.7212 -1.6379 -1.6282 -1.5588 -1.2864 -1.1087 -1.1012 -1.0756 -1.0611 -1.0324 -0.9621 -0.7579 -0.7484 -0.7327 -0.7130 -0.6943 -0.6356 -0.5626 -0.3562 -0.2487 -0.1753 -0.0657 0.0486 0.1064 0.1465 0.2574 0.3352 0.3474 0.4314 0.4413 0.6365 1.0447 1.2834 1.3002 1.3451 1.4369 1.7784 2.2719 2.3327 2.5245 2.5570 2.5651 2.5666 2.5801 2.6053 2.6738 2.6976 2.9247 3.3033 3.3740 3.5074 3.7996 3.8809 3.8927 3.8945 3.9033 4.0341 4.1842 4.2266 4.3253 4.3497 4.3972 4.4557 4.4840 4.4894 4.5007 4.5502 4.6677 4.7370 4.7697 4.7855 4.8489 4.8504 4.9327 5.0531 5.1495 5.1579 5.1693 5.1730 5.1980 5.2908 5.3265 5.3446 5.4425 5.4767 5.5017 5.5775 5.6844 5.7085 5.7776 5.8304 5.8724 5.9160 5.9502 5.9793 6.0761 6.1428 6.1785 6.2144 6.2405 6.2472 6.2582 6.2783 6.2968 6.3353 6.3636 6.4060 6.4207 6.4664 6.4713 6.5025 6.5871 6.5993 6.6839 6.9631 7.0254 7.1065 7.2504 7.3150 7.3719 7.4121 7.4693 7.5344 7.6295 7.6899 7.7489 7.7771 7.8420 7.9025 7.9752 8.0066 8.0971 8.1160 8.1170 8.1359 8.1704 8.1897 8.1959 8.2031 8.2421 8.2598 8.2760 8.2893 8.3166 8.3414 8.4094 8.4306 8.4473 8.5048 8.5154 8.5965 8.7506 8.7815 8.7992 8.8503 8.8724 8.9385 8.9665 9.0434 9.0632 9.1070 9.1321 9.1359 9.1988 9.2319 9.2646 9.2892 9.3098 9.3410 9.3710 9.3997 9.4301 9.5175 9.5790 9.6079 9.7066 9.7451 9.7885 9.8391 9.9058 9.9756 9.9860 10.0238 10.0417 10.1077 10.1259 10.1375 10.1539 10.1593 10.1816 10.1993 10.2081 10.2304 10.2644 10.3120 10.3947 10.4477 10.5035 10.5234 10.6068 10.6371 10.6661 10.7158 10.7384 10.7678 10.8077 10.8476 10.9049 -17.1429 -10.0339 -8.9760 -8.8528 -8.5883 -8.5470 -8.1375 -7.8964 -7.8595 -7.6570 -7.5852 -7.4304 -7.3207 -7.0606 -6.9196 -6.8140 -6.6910 -6.5114 -6.3665 -6.3537 -6.3255 -6.2648 -6.2201 -6.2067 -6.1851 -6.1306 -6.1092 -6.0782 -6.0678 -6.0029 -5.9737 -5.9575 -5.9424 -5.9044 -5.8648 -5.8418 -5.8258 -5.7891 -5.7684 -5.7599 -5.7451 -5.7138 -5.7015 -5.6909 -5.6874 -5.6792 -5.6660 -5.6526 -5.6212 -5.6135 -5.6081 -5.5940 -5.5855 -5.5725 -5.5673 -5.5639 -5.5457 -5.5272 -5.5058 -5.5012 -5.4824 -5.4706 -5.4613 -5.4413 -5.4205 -5.3902 -5.3820 -5.3594 -5.3079 -5.3028 -5.2856 -5.2829 -5.2614 -5.2365 -5.2280 -5.2158 -5.2005 -5.1878 -5.1763 -5.1689 -5.1631 -5.1567 -5.1390 -5.1170 -5.0832 -5.0759 -5.0221 -5.0200 -5.0134 -5.0095 -5.0074 -4.9981 -4.9876 -4.9790 -4.9759 -4.9632 -4.9501 -4.9341 -4.9180 -4.9062 -4.8902 -4.8802 -4.8774 -4.8678 -4.8611 -4.8597 -4.8402 -4.8351 -4.8279 -4.7887 -4.7812 -4.7448 -4.7383 -4.7196 -4.7097 -4.7045 -4.7008 -4.6948 -4.6886 -4.6809 -4.6453 -4.6370 -4.6352 -4.6261 -4.6166 -4.6123 -4.6079 -4.6002 -4.5976 -4.5848 -4.5699 -4.5655 -4.5616 -4.5579 -4.5344 -4.5293 -4.5213 -4.4994 -4.4882 -4.4777 -4.4651 -4.4581 -4.4465 -4.4390 -4.4340 -4.4320 -4.4246 -4.4212 -4.4181 -4.4102 -4.4077 -4.4009 -4.3952 -4.3882 -4.3603 -4.3537 -4.3412 -4.3381 -4.3315 -4.3281 -4.3250 -4.3187 -4.3153 -4.3102 -4.3061 -4.2991 -4.2943 -4.2870 -4.2855 -4.2788 -4.2742 -4.2680 -4.2649 -4.2593 -4.2571 -4.2526 -4.2498 -4.2461 -4.2425 -4.2368 -4.2327 -4.2225 -4.2152 -4.2131 -4.2073 -4.2017 -4.1961 -4.1923 -4.1857 -4.1836 -4.1787 -4.1740 -4.1691 -4.1627 -4.1509 -4.1457 -4.1395 -4.1384 -4.1184 -4.1059 -4.1029 -4.0929 -4.0785 -4.0627 -4.0597 -4.0380 -4.0359 -4.0228 -4.0062 -3.9918 -3.9851 -3.9722 -3.9643 -3.9605 -3.9543 -3.9509 -3.9470 -3.9395 -3.9345 -3.9313 -3.9283 -3.9244 -3.9164 -3.9089 -3.9024 -3.8997 -3.8892 -3.8817 -3.8655 -3.8377 -3.8250 -3.7969 -3.7907 -3.7850 -3.7783 -3.7718 -3.7701 -3.7550 -3.7465 -3.7384 -3.7354 -3.7217 -3.7159 -3.7049 -3.6854 -3.6817 -3.6756 -3.6680 -3.6646 -3.6607 -3.6551 -3.6514 -3.6438 -3.6355 -3.6304 -3.6285 -3.6248 -3.6201 -3.6123 -3.6088 -3.6051 -3.6031 -3.5905 -3.5895 -3.5860 -3.5706 -3.5632 -3.5585 -3.5557 -3.5475 -3.5424 -3.5339 -3.5261 -3.5222 -3.5154 -3.5082 -3.5033 -3.4969 -3.4876 -3.4834 -3.4713 -3.4611 -3.4448 -3.4367 -3.4294 -3.4233 -3.4210 -3.4010 -3.3985 -3.3852 -3.3803 -3.3733 -3.3688 -3.3602 -3.3490 -3.3449 -3.3276 -3.3263 -3.3193 -3.3162 -3.3076 -3.3065 -3.2998 -3.2974 -3.2947 -3.2802 -3.2704 -3.2627 -3.2520 -3.2486 -3.2428 -3.2389 -3.2324 -3.2314 -3.2301 -3.2233 -3.2200 -3.2154 -3.2127 -3.2103 -3.2009 -3.1969 -3.1929 -3.1878 -3.1817 -3.1699 -3.1677 -3.1598 -3.1567 -3.1428 -3.1301 -3.1175 -3.1031 -3.0968 -3.0770 -3.0636 -3.0450 -3.0441 -3.0189 -2.9247 -2.8012 -2.7021 -2.5811 -2.4384 -2.4202 -2.4010 -2.3479 -2.2143 -2.1140 -1.9957 -1.9145 -1.8037 -1.7425 -1.7248 -1.6425 -1.6040 -1.4055 -1.2322 -1.1487 -1.0681 -1.0400 -0.9090 -0.8987 -0.8620 -0.8582 -0.7950 -0.6459 -0.5212 -0.3758 -0.2665 -0.2003 -0.1322 -0.0514 -0.0398 -0.0199 0.1500 0.3018 0.3934 0.4385 0.4629 0.6539 0.7809 0.9093 1.1053 1.3938 1.4824 1.5896 1.7591 1.8628 2.0097 2.2607 2.3856 2.4141 2.5455 2.6342 2.6443 2.6873 2.8456 3.0537 3.1013 3.3169 3.3678 3.5433 3.6179 3.6555 3.7013 3.7850 3.8222 3.9110 3.9245 3.9719 4.0690 4.1102 4.1812 4.2163 4.2363 4.2543 4.3389 4.3776 4.3896 4.4480 4.5339 4.5849 4.6360 4.7000 4.8056 4.8477 4.8875 4.9529 4.9777 5.0407 5.2397 5.3447 5.4317 5.4719 5.5175 5.5540 5.5675 5.6102 5.6502 5.7210 5.7789 5.8503 5.9155 5.9592 6.0141 6.0714 6.1445 6.1994 6.2428 6.2965 6.3310 6.3881 6.4217 6.5134 6.5316 6.5768 6.6283 6.6930 6.7285 6.7915 6.8286 6.8637 6.8938 6.9048 6.9288 6.9596 6.9919 7.0444 7.0716 7.1017 7.1176 7.2442 7.2700 7.3327 7.4482 7.4979 7.6459 7.6950 7.7823 7.8428 7.8794 7.9101 7.9626 7.9867 8.0238 8.0349 8.0788 8.1148 8.1353 8.1832 8.2281 8.2498 8.3331 8.3753 8.3963 8.4365 8.4773 8.5067 8.5414 8.5500 8.6008 8.6322 8.6681 8.7050 8.7512 8.8071 8.8288 8.8782 8.8977 8.9534 8.9891 9.0436 9.1005 9.1446 9.1629 9.1919 9.2356 9.2966 9.3677 9.3818 9.4389 9.4665 9.5187 9.5458 9.6088 9.6828 9.7066 9.7747 9.8327 9.9096 9.9461 10.0123 10.0518 10.0937 10.1029 10.1428 10.1707 10.2146 10.2237 10.2722 10.3230 10.3577 10.3872 10.4491 10.4805 10.5473 10.6010 10.6333 10.6712 10.7762 10.8117 10.8444 10.8726 10.9126 10.9443 10.9756 11.0095 11.0494 11.1078 -17.1429 -10.0337 -8.9744 -8.8552 -8.5887 -8.5444 -8.1403 -7.8960 -7.8559 -7.6578 -7.5880 -7.4403 -7.3176 -7.0589 -6.9270 -6.7848 -6.6646 -6.5550 -6.3902 -6.3523 -6.3448 -6.2776 -6.2174 -6.1892 -6.1779 -6.1217 -6.0851 -6.0750 -6.0368 -6.0056 -5.9755 -5.9669 -5.9409 -5.9205 -5.8725 -5.8507 -5.8218 -5.7825 -5.7709 -5.7592 -5.7524 -5.7126 -5.6981 -5.6928 -5.6817 -5.6778 -5.6694 -5.6465 -5.6290 -5.6074 -5.6000 -5.5931 -5.5889 -5.5745 -5.5677 -5.5575 -5.5454 -5.5331 -5.5134 -5.5016 -5.4894 -5.4610 -5.4525 -5.4446 -5.4269 -5.3921 -5.3805 -5.3675 -5.3076 -5.3030 -5.2864 -5.2787 -5.2597 -5.2361 -5.2277 -5.2207 -5.1979 -5.1841 -5.1751 -5.1704 -5.1594 -5.1536 -5.1395 -5.1257 -5.0829 -5.0782 -5.0203 -5.0158 -5.0124 -5.0098 -5.0080 -4.9959 -4.9882 -4.9860 -4.9712 -4.9672 -4.9432 -4.9341 -4.9179 -4.9143 -4.8873 -4.8839 -4.8755 -4.8725 -4.8610 -4.8570 -4.8415 -4.8333 -4.8278 -4.7877 -4.7820 -4.7463 -4.7354 -4.7246 -4.7094 -4.7030 -4.6979 -4.6930 -4.6893 -4.6805 -4.6454 -4.6417 -4.6359 -4.6276 -4.6164 -4.6134 -4.6034 -4.5979 -4.5935 -4.5833 -4.5769 -4.5675 -4.5606 -4.5581 -4.5329 -4.5280 -4.5232 -4.4958 -4.4853 -4.4792 -4.4729 -4.4634 -4.4450 -4.4411 -4.4310 -4.4300 -4.4230 -4.4204 -4.4162 -4.4124 -4.4087 -4.4022 -4.3905 -4.3721 -4.3648 -4.3526 -4.3454 -4.3356 -4.3333 -4.3300 -4.3243 -4.3171 -4.3136 -4.3102 -4.3049 -4.2942 -4.2930 -4.2880 -4.2840 -4.2785 -4.2766 -4.2707 -4.2641 -4.2607 -4.2540 -4.2509 -4.2491 -4.2476 -4.2450 -4.2363 -4.2317 -4.2273 -4.2185 -4.2130 -4.2082 -4.2032 -4.1971 -4.1940 -4.1863 -4.1824 -4.1797 -4.1749 -4.1669 -4.1625 -4.1483 -4.1451 -4.1386 -4.1367 -4.1201 -4.1079 -4.1012 -4.0952 -4.0731 -4.0651 -4.0547 -4.0406 -4.0364 -4.0221 -4.0054 -4.0025 -3.9832 -3.9702 -3.9640 -3.9615 -3.9559 -3.9529 -3.9490 -3.9441 -3.9340 -3.9302 -3.9232 -3.9202 -3.9169 -3.9118 -3.8988 -3.8954 -3.8907 -3.8854 -3.8624 -3.8361 -3.8310 -3.7990 -3.7874 -3.7793 -3.7756 -3.7731 -3.7684 -3.7537 -3.7467 -3.7438 -3.7309 -3.7230 -3.7191 -3.7013 -3.6870 -3.6827 -3.6758 -3.6709 -3.6656 -3.6609 -3.6569 -3.6543 -3.6461 -3.6401 -3.6342 -3.6288 -3.6231 -3.6174 -3.6137 -3.6087 -3.6038 -3.5941 -3.5904 -3.5868 -3.5860 -3.5718 -3.5617 -3.5566 -3.5543 -3.5505 -3.5435 -3.5360 -3.5275 -3.5216 -3.5167 -3.5104 -3.5038 -3.4996 -3.4866 -3.4799 -3.4675 -3.4616 -3.4470 -3.4409 -3.4296 -3.4231 -3.4168 -3.4042 -3.3983 -3.3850 -3.3785 -3.3765 -3.3695 -3.3592 -3.3553 -3.3407 -3.3326 -3.3229 -3.3189 -3.3167 -3.3119 -3.3033 -3.3011 -3.2959 -3.2930 -3.2744 -3.2633 -3.2612 -3.2581 -3.2490 -3.2444 -3.2425 -3.2320 -3.2305 -3.2256 -3.2239 -3.2210 -3.2152 -3.2120 -3.2074 -3.1994 -3.1969 -3.1930 -3.1885 -3.1812 -3.1726 -3.1659 -3.1587 -3.1517 -3.1497 -3.1346 -3.1222 -3.1013 -3.0954 -3.0751 -3.0658 -3.0460 -3.0447 -3.0189 -2.9204 -2.7907 -2.6981 -2.5913 -2.4341 -2.4197 -2.4164 -2.3257 -2.2192 -2.1548 -2.0009 -1.9037 -1.7795 -1.7502 -1.7258 -1.6589 -1.5644 -1.4483 -1.2970 -1.0993 -1.0703 -0.9878 -0.9122 -0.8682 -0.8619 -0.8525 -0.7550 -0.6892 -0.4955 -0.4790 -0.2726 -0.1980 -0.1130 -0.0502 -0.0373 -0.0207 0.1567 0.3411 0.4027 0.4267 0.4650 0.6162 0.7984 0.9320 1.1584 1.3321 1.5033 1.5514 1.7500 1.8129 2.0111 2.2569 2.3916 2.5182 2.5559 2.6097 2.6323 2.7011 2.8263 3.0511 3.1189 3.2966 3.3838 3.5118 3.6315 3.6584 3.6949 3.7762 3.8172 3.9168 3.9359 3.9589 4.0457 4.1024 4.1718 4.2151 4.2364 4.2506 4.3581 4.3900 4.4068 4.4795 4.5249 4.5680 4.6580 4.6841 4.8337 4.8567 4.8874 4.9055 4.9937 5.0462 5.2444 5.3290 5.4299 5.4514 5.5222 5.5387 5.5881 5.6137 5.6474 5.7013 5.7961 5.8510 5.9245 5.9491 5.9937 6.0915 6.1262 6.1888 6.2358 6.2959 6.3542 6.4042 6.4671 6.5087 6.5297 6.5504 6.5964 6.6793 6.7508 6.7992 6.8236 6.8659 6.8835 6.9138 6.9464 6.9619 6.9973 7.0332 7.0558 7.0996 7.1713 7.2412 7.2730 7.3098 7.4406 7.5032 7.5920 7.7191 7.7570 7.8329 7.8765 7.9104 7.9494 7.9989 8.0165 8.0443 8.1056 8.1193 8.1707 8.1799 8.2274 8.2599 8.3465 8.3512 8.3991 8.4183 8.4747 8.5097 8.5497 8.5659 8.5918 8.6316 8.6762 8.7019 8.7388 8.7611 8.8328 8.8529 8.9336 8.9605 8.9958 9.0446 9.1051 9.1391 9.1490 9.1883 9.2385 9.3128 9.3501 9.3696 9.4376 9.4622 9.5152 9.5651 9.6505 9.6857 9.6979 9.7204 9.8484 9.9034 9.9462 9.9695 10.0373 10.0824 10.1156 10.1302 10.1560 10.2066 10.2326 10.2510 10.3399 10.3544 10.4186 10.4579 10.5058 10.5530 10.6095 10.6520 10.7003 10.7926 10.8297 10.8476 10.8944 10.9120 10.9514 10.9804 11.0183 11.0619 11.0889 -17.1429 -9.8060 -9.4291 -8.8150 -8.6829 -8.6271 -8.3052 -7.8753 -7.5427 -7.4450 -7.4175 -7.3016 -7.0117 -6.9406 -6.8840 -6.8507 -6.6978 -6.5653 -6.5068 -6.4748 -6.4129 -6.3180 -6.2513 -6.2246 -6.1871 -6.1697 -6.1450 -6.1374 -6.0930 -6.0588 -6.0502 -6.0288 -6.0099 -6.0031 -5.9237 -5.9121 -5.8675 -5.8490 -5.8248 -5.7865 -5.7291 -5.6966 -5.6640 -5.6501 -5.6414 -5.6401 -5.6317 -5.6213 -5.6105 -5.6007 -5.5998 -5.5881 -5.5860 -5.5745 -5.5675 -5.5571 -5.5361 -5.5206 -5.5119 -5.4946 -5.4688 -5.4407 -5.4155 -5.4136 -5.3894 -5.3722 -5.3677 -5.3645 -5.3593 -5.3481 -5.3267 -5.2947 -5.2844 -5.2670 -5.2431 -5.1911 -5.1854 -5.1792 -5.1631 -5.1574 -5.1396 -5.1361 -5.1107 -5.1031 -5.0977 -5.0910 -5.0860 -5.0773 -5.0663 -5.0489 -5.0276 -5.0113 -5.0065 -4.9974 -4.9851 -4.9806 -4.9605 -4.9065 -4.9044 -4.8903 -4.8841 -4.8763 -4.8708 -4.8602 -4.8562 -4.8450 -4.8354 -4.8243 -4.7877 -4.7821 -4.7479 -4.7270 -4.7184 -4.7053 -4.6999 -4.6936 -4.6831 -4.6814 -4.6714 -4.6636 -4.6527 -4.6393 -4.6300 -4.6233 -4.5955 -4.5901 -4.5874 -4.5691 -4.5643 -4.5510 -4.5441 -4.5384 -4.5297 -4.5267 -4.5235 -4.5132 -4.5036 -4.4985 -4.4845 -4.4671 -4.4630 -4.4592 -4.4499 -4.4438 -4.4405 -4.4316 -4.4230 -4.4155 -4.4128 -4.4083 -4.4064 -4.4017 -4.3982 -4.3904 -4.3878 -4.3843 -4.3758 -4.3693 -4.3660 -4.3614 -4.3542 -4.3528 -4.3457 -4.3384 -4.3340 -4.3315 -4.3284 -4.3263 -4.3223 -4.3196 -4.3156 -4.3072 -4.2959 -4.2878 -4.2794 -4.2750 -4.2693 -4.2626 -4.2526 -4.2488 -4.2382 -4.2326 -4.2272 -4.2130 -4.2067 -4.1977 -4.1925 -4.1879 -4.1794 -4.1753 -4.1605 -4.1501 -4.1458 -4.1350 -4.1159 -4.1106 -4.1018 -4.0991 -4.0951 -4.0807 -4.0753 -4.0570 -4.0390 -4.0153 -4.0102 -3.9963 -3.9888 -3.9739 -3.9658 -3.9597 -3.9545 -3.9448 -3.9419 -3.9373 -3.9357 -3.9282 -3.9243 -3.9216 -3.9204 -3.9147 -3.9136 -3.9058 -3.8981 -3.8924 -3.8535 -3.8465 -3.8259 -3.8205 -3.8171 -3.8106 -3.8011 -3.7953 -3.7901 -3.7887 -3.7821 -3.7786 -3.7624 -3.7384 -3.7202 -3.7101 -3.6942 -3.6886 -3.6870 -3.6801 -3.6749 -3.6693 -3.6600 -3.6563 -3.6499 -3.6407 -3.6340 -3.6322 -3.6212 -3.6185 -3.6118 -3.6102 -3.6032 -3.5995 -3.5921 -3.5826 -3.5774 -3.5735 -3.5616 -3.5512 -3.5479 -3.5372 -3.5308 -3.5243 -3.5169 -3.5121 -3.5045 -3.4982 -3.4925 -3.4867 -3.4774 -3.4672 -3.4605 -3.4528 -3.4441 -3.4418 -3.4354 -3.4339 -3.4279 -3.4223 -3.4043 -3.3943 -3.3867 -3.3819 -3.3748 -3.3675 -3.3606 -3.3595 -3.3512 -3.3419 -3.3399 -3.3371 -3.3306 -3.3290 -3.3228 -3.3182 -3.3127 -3.3052 -3.3007 -3.2973 -3.2920 -3.2874 -3.2860 -3.2803 -3.2744 -3.2732 -3.2692 -3.2656 -3.2562 -3.2519 -3.2424 -3.2371 -3.2339 -3.2312 -3.2242 -3.2211 -3.2174 -3.2149 -3.2129 -3.2108 -3.2084 -3.2019 -3.1891 -3.1834 -3.1802 -3.1744 -3.1554 -3.1459 -3.1371 -3.1274 -3.1240 -3.1153 -3.1048 -3.0991 -3.0837 -2.9801 -2.9403 -2.8995 -2.8923 -2.7875 -2.7278 -2.6593 -2.5756 -2.4547 -2.2377 -2.0720 -1.9599 -1.8213 -1.7479 -1.7401 -1.7218 -1.7016 -1.5764 -1.4916 -1.3624 -1.2222 -1.0851 -1.0769 -1.0444 -1.0304 -0.9898 -0.9143 -0.6400 -0.3277 -0.0419 0.1687 0.2095 0.2284 0.2372 0.2599 0.3022 0.4298 0.5864 0.7477 0.8239 0.9128 1.0167 1.0354 1.1207 1.1579 1.2214 1.5137 1.6717 1.7217 1.9204 1.9978 2.3048 2.3579 2.4329 2.5629 2.6327 2.7796 2.8626 2.8953 2.9413 3.0644 3.2436 3.2680 3.2921 3.3068 3.3358 3.3894 3.4219 3.4881 3.5278 3.6027 3.7299 3.8101 3.9426 4.0360 4.0652 4.1412 4.1906 4.4371 4.4752 4.4878 4.5424 4.5504 4.5955 4.6391 4.6939 4.7601 4.7879 4.8191 4.8482 4.9164 5.0764 5.1340 5.1696 5.2350 5.3113 5.3695 5.4039 5.4377 5.4507 5.5066 5.5460 5.6208 5.8580 5.9144 5.9746 6.0078 6.0785 6.0904 6.1261 6.1444 6.1948 6.2321 6.3347 6.3574 6.3954 6.4384 6.5019 6.6075 6.7242 6.7500 6.7904 6.8864 6.9215 6.9423 6.9942 7.0351 7.1147 7.2062 7.2497 7.2778 7.3534 7.3721 7.4058 7.4786 7.5384 7.5746 7.6116 7.6328 7.6749 7.6943 7.7426 7.7569 7.7916 7.8125 7.8692 7.9106 7.9681 8.0126 8.0524 8.1208 8.1651 8.1822 8.2401 8.2623 8.2997 8.3687 8.3786 8.3929 8.4328 8.4732 8.5753 8.6638 8.6860 8.7513 8.8001 8.8630 8.9533 8.9852 9.0077 9.0499 9.1361 9.2017 9.2264 9.2694 9.3032 9.3333 9.3748 9.4580 9.5129 9.5987 9.6329 9.6970 9.7126 9.7450 9.7717 9.8058 9.8367 9.8910 9.9234 9.9707 9.9948 10.0342 10.0883 10.1279 10.1595 10.1716 10.2177 10.2417 10.2894 10.3139 10.3520 10.3956 10.4237 10.4940 10.5438 10.5650 10.6383 10.6485 10.6665 10.7103 10.7460 10.7606 10.8824 10.9370 10.9655 10.9907 11.0303 11.0397 11.0694 11.0809 -17.1429 -9.8047 -9.4305 -8.8158 -8.6801 -8.6262 -8.3029 -7.8901 -7.5493 -7.4356 -7.4183 -7.3061 -6.9691 -6.9417 -6.8853 -6.8461 -6.7416 -6.5742 -6.5097 -6.4835 -6.4046 -6.3381 -6.2450 -6.2011 -6.1819 -6.1714 -6.1446 -6.1326 -6.0793 -6.0587 -6.0509 -6.0142 -6.0080 -5.9804 -5.9433 -5.9130 -5.8883 -5.8554 -5.8258 -5.7793 -5.7231 -5.6950 -5.6672 -5.6474 -5.6440 -5.6413 -5.6319 -5.6233 -5.6073 -5.5983 -5.5939 -5.5906 -5.5823 -5.5736 -5.5674 -5.5545 -5.5428 -5.5216 -5.5159 -5.4965 -5.4773 -5.4285 -5.4156 -5.4101 -5.3886 -5.3858 -5.3694 -5.3645 -5.3591 -5.3554 -5.3192 -5.2956 -5.2797 -5.2658 -5.2458 -5.1904 -5.1850 -5.1753 -5.1606 -5.1565 -5.1494 -5.1329 -5.1140 -5.1023 -5.0968 -5.0888 -5.0840 -5.0765 -5.0646 -5.0437 -5.0388 -5.0115 -5.0085 -4.9980 -4.9902 -4.9748 -4.9639 -4.9091 -4.9014 -4.8900 -4.8865 -4.8794 -4.8723 -4.8599 -4.8527 -4.8418 -4.8359 -4.8236 -4.7865 -4.7837 -4.7530 -4.7241 -4.7145 -4.7059 -4.7003 -4.6918 -4.6872 -4.6767 -4.6720 -4.6624 -4.6555 -4.6426 -4.6336 -4.6262 -4.5958 -4.5912 -4.5853 -4.5646 -4.5589 -4.5557 -4.5428 -4.5359 -4.5321 -4.5231 -4.5208 -4.5123 -4.5032 -4.4992 -4.4941 -4.4687 -4.4648 -4.4585 -4.4533 -4.4464 -4.4359 -4.4284 -4.4241 -4.4208 -4.4114 -4.4061 -4.4049 -4.4020 -4.3982 -4.3935 -4.3879 -4.3829 -4.3791 -4.3701 -4.3616 -4.3586 -4.3554 -4.3521 -4.3423 -4.3376 -4.3331 -4.3294 -4.3272 -4.3246 -4.3202 -4.3177 -4.3125 -4.3033 -4.2912 -4.2854 -4.2827 -4.2760 -4.2715 -4.2569 -4.2550 -4.2427 -4.2365 -4.2287 -4.2198 -4.2110 -4.2056 -4.1984 -4.1951 -4.1884 -4.1811 -4.1745 -4.1602 -4.1535 -4.1451 -4.1349 -4.1158 -4.1108 -4.1050 -4.0978 -4.0960 -4.0863 -4.0765 -4.0607 -4.0376 -4.0161 -4.0116 -4.0015 -3.9804 -3.9737 -3.9705 -3.9620 -3.9582 -3.9512 -3.9460 -3.9372 -3.9340 -3.9294 -3.9272 -3.9237 -3.9203 -3.9163 -3.9135 -3.9016 -3.8966 -3.8811 -3.8587 -3.8346 -3.8278 -3.8201 -3.8102 -3.8069 -3.8049 -3.8027 -3.7920 -3.7875 -3.7819 -3.7705 -3.7617 -3.7498 -3.7294 -3.7101 -3.7060 -3.6869 -3.6829 -3.6762 -3.6723 -3.6697 -3.6596 -3.6542 -3.6479 -3.6432 -3.6368 -3.6334 -3.6240 -3.6183 -3.6134 -3.6094 -3.6067 -3.5939 -3.5891 -3.5790 -3.5770 -3.5696 -3.5638 -3.5510 -3.5428 -3.5393 -3.5334 -3.5249 -3.5190 -3.5160 -3.5064 -3.4967 -3.4960 -3.4830 -3.4738 -3.4657 -3.4629 -3.4536 -3.4468 -3.4396 -3.4364 -3.4331 -3.4249 -3.4127 -3.4037 -3.3945 -3.3922 -3.3796 -3.3747 -3.3693 -3.3629 -3.3602 -3.3532 -3.3463 -3.3393 -3.3375 -3.3307 -3.3281 -3.3213 -3.3166 -3.3113 -3.3058 -3.2990 -3.2956 -3.2912 -3.2881 -3.2833 -3.2811 -3.2780 -3.2744 -3.2704 -3.2655 -3.2551 -3.2526 -3.2442 -3.2360 -3.2307 -3.2270 -3.2228 -3.2203 -3.2179 -3.2168 -3.2130 -3.2087 -3.2078 -3.2037 -3.1892 -3.1825 -3.1813 -3.1735 -3.1580 -3.1407 -3.1364 -3.1306 -3.1223 -3.1123 -3.1046 -3.0980 -3.0839 -3.0071 -2.9401 -2.9014 -2.8904 -2.7958 -2.7186 -2.6815 -2.5695 -2.4036 -2.3070 -2.0641 -1.9067 -1.8830 -1.7441 -1.7380 -1.7119 -1.6917 -1.6278 -1.4683 -1.3317 -1.2542 -1.0954 -1.0687 -1.0509 -1.0320 -0.9569 -0.8999 -0.6338 -0.3841 0.0391 0.1734 0.2061 0.2297 0.2329 0.2589 0.3365 0.4047 0.6347 0.7632 0.7923 0.8701 1.0078 1.0214 1.1230 1.1739 1.2101 1.4726 1.6710 1.7501 1.9562 1.9993 2.2811 2.3803 2.3945 2.5654 2.6619 2.7744 2.8767 2.8852 2.9342 3.0342 3.2468 3.2543 3.2887 3.3195 3.3361 3.3895 3.4261 3.4625 3.5156 3.5943 3.8027 3.8261 3.9660 4.0168 4.0735 4.1322 4.2127 4.4200 4.4717 4.4856 4.5231 4.5610 4.5902 4.6276 4.6871 4.7620 4.7773 4.8287 4.8643 4.9441 5.0657 5.1517 5.1663 5.1956 5.3207 5.3564 5.3829 5.4313 5.4713 5.5042 5.5887 5.6115 5.8363 5.9142 5.9411 6.0196 6.0648 6.0878 6.1234 6.1777 6.1997 6.2479 6.3102 6.3649 6.3806 6.4601 6.4886 6.5913 6.7267 6.7372 6.7886 6.8740 6.9324 6.9686 6.9966 7.0543 7.1208 7.1969 7.2350 7.2827 7.3408 7.3580 7.4303 7.4848 7.5191 7.5632 7.5926 7.6547 7.6775 7.7029 7.7284 7.7528 7.7823 7.8267 7.8650 7.8959 7.9442 8.0184 8.0896 8.1211 8.1498 8.1769 8.2308 8.2777 8.3107 8.3457 8.3872 8.4025 8.4327 8.5031 8.5599 8.6474 8.6980 8.7604 8.8340 8.8699 8.9104 8.9590 8.9998 9.0349 9.1303 9.1655 9.2310 9.2675 9.3068 9.3414 9.4175 9.4587 9.4776 9.5971 9.6329 9.6912 9.7124 9.7317 9.7599 9.8195 9.8342 9.8506 9.9206 9.9607 10.0235 10.0469 10.0752 10.1261 10.1648 10.1856 10.2130 10.2544 10.2780 10.3050 10.3739 10.4088 10.4449 10.4781 10.5277 10.6010 10.6327 10.6487 10.6934 10.7115 10.7538 10.7805 10.8619 10.9274 10.9621 11.0067 11.0390 11.0670 11.0794 11.0881 -17.1429 -10.0338 -8.9778 -8.8527 -8.5845 -8.5461 -8.1421 -7.8964 -7.8612 -7.6512 -7.5827 -7.4354 -7.3215 -7.0603 -6.9249 -6.8080 -6.6843 -6.5232 -6.3679 -6.3496 -6.3267 -6.2765 -6.2301 -6.1887 -6.1773 -6.1222 -6.1120 -6.0762 -6.0675 -6.0092 -5.9711 -5.9579 -5.9340 -5.9251 -5.8722 -5.8504 -5.8083 -5.7884 -5.7661 -5.7552 -5.7415 -5.7130 -5.7019 -5.6926 -5.6867 -5.6786 -5.6675 -5.6433 -5.6304 -5.6248 -5.6034 -5.5941 -5.5830 -5.5733 -5.5635 -5.5565 -5.5425 -5.5304 -5.5131 -5.4998 -5.4839 -5.4732 -5.4585 -5.4445 -5.4180 -5.3947 -5.3825 -5.3602 -5.3098 -5.3014 -5.2861 -5.2782 -5.2621 -5.2373 -5.2302 -5.2163 -5.1996 -5.1873 -5.1738 -5.1708 -5.1625 -5.1479 -5.1417 -5.1215 -5.0843 -5.0764 -5.0214 -5.0177 -5.0124 -5.0086 -5.0045 -4.9987 -4.9897 -4.9798 -4.9756 -4.9659 -4.9460 -4.9331 -4.9206 -4.9118 -4.8888 -4.8850 -4.8740 -4.8720 -4.8621 -4.8608 -4.8384 -4.8305 -4.8264 -4.7875 -4.7824 -4.7423 -4.7393 -4.7200 -4.7100 -4.7066 -4.6990 -4.6943 -4.6894 -4.6807 -4.6464 -4.6385 -4.6339 -4.6299 -4.6178 -4.6106 -4.6037 -4.5992 -4.5947 -4.5857 -4.5713 -4.5675 -4.5600 -4.5571 -4.5356 -4.5295 -4.5225 -4.5019 -4.4868 -4.4799 -4.4646 -4.4592 -4.4459 -4.4391 -4.4338 -4.4301 -4.4247 -4.4233 -4.4177 -4.4135 -4.4082 -4.3995 -4.3936 -4.3847 -4.3660 -4.3521 -4.3390 -4.3367 -4.3331 -4.3291 -4.3223 -4.3185 -4.3137 -4.3106 -4.3019 -4.2988 -4.2945 -4.2889 -4.2853 -4.2782 -4.2743 -4.2707 -4.2677 -4.2574 -4.2563 -4.2530 -4.2511 -4.2450 -4.2411 -4.2352 -4.2311 -4.2213 -4.2165 -4.2141 -4.2090 -4.2022 -4.1971 -4.1918 -4.1855 -4.1808 -4.1783 -4.1764 -4.1675 -4.1628 -4.1478 -4.1447 -4.1384 -4.1325 -4.1174 -4.1129 -4.1020 -4.0940 -4.0726 -4.0647 -4.0517 -4.0386 -4.0363 -4.0252 -4.0075 -4.0012 -3.9863 -3.9787 -3.9640 -3.9578 -3.9533 -3.9493 -3.9484 -3.9438 -3.9389 -3.9280 -3.9257 -3.9222 -3.9181 -3.9087 -3.9049 -3.8963 -3.8895 -3.8806 -3.8660 -3.8375 -3.8293 -3.7898 -3.7891 -3.7802 -3.7775 -3.7724 -3.7698 -3.7582 -3.7494 -3.7381 -3.7294 -3.7233 -3.7150 -3.7051 -3.6880 -3.6807 -3.6731 -3.6686 -3.6631 -3.6603 -3.6552 -3.6543 -3.6474 -3.6378 -3.6357 -3.6305 -3.6237 -3.6191 -3.6140 -3.6111 -3.6061 -3.6000 -3.5908 -3.5888 -3.5838 -3.5692 -3.5623 -3.5587 -3.5539 -3.5510 -3.5395 -3.5354 -3.5276 -3.5221 -3.5149 -3.5090 -3.5062 -3.5008 -3.4871 -3.4794 -3.4728 -3.4618 -3.4448 -3.4397 -3.4273 -3.4237 -3.4176 -3.4015 -3.3933 -3.3879 -3.3815 -3.3748 -3.3655 -3.3617 -3.3522 -3.3408 -3.3312 -3.3240 -3.3199 -3.3159 -3.3089 -3.3054 -3.3022 -3.2953 -3.2915 -3.2755 -3.2644 -3.2634 -3.2597 -3.2464 -3.2423 -3.2382 -3.2338 -3.2300 -3.2276 -3.2215 -3.2198 -3.2170 -3.2154 -3.2105 -3.2009 -3.1960 -3.1927 -3.1887 -3.1818 -3.1725 -3.1648 -3.1585 -3.1539 -3.1500 -3.1320 -3.1235 -3.1039 -3.0893 -3.0749 -3.0661 -3.0447 -3.0430 -3.0190 -2.9153 -2.8127 -2.6899 -2.5896 -2.4425 -2.4212 -2.4072 -2.3472 -2.2266 -2.1059 -1.9928 -1.9039 -1.8110 -1.7481 -1.7178 -1.6519 -1.5849 -1.4240 -1.2384 -1.1424 -1.0731 -1.0320 -0.9000 -0.8779 -0.8656 -0.8511 -0.7984 -0.6599 -0.5143 -0.4037 -0.2822 -0.1779 -0.1213 -0.0492 -0.0446 -0.0238 0.1457 0.3111 0.4053 0.4440 0.4711 0.6149 0.7967 0.9211 1.1041 1.3760 1.4958 1.5561 1.7644 1.8604 2.0210 2.2569 2.3909 2.4634 2.5360 2.5827 2.6594 2.7153 2.8172 3.0621 3.1146 3.2775 3.4062 3.5453 3.5995 3.6566 3.7051 3.7704 3.8375 3.9138 3.9193 3.9712 4.0544 4.1096 4.1717 4.2090 4.2432 4.2532 4.3395 4.3854 4.4242 4.4498 4.5497 4.5637 4.6428 4.6861 4.8005 4.8518 4.8744 4.9206 5.0025 5.0344 5.2111 5.2953 5.4335 5.4729 5.5424 5.5591 5.6286 5.6885 5.7042 5.7551 5.7918 5.8469 5.8657 5.9201 5.9715 6.0284 6.1544 6.1891 6.2214 6.2542 6.3388 6.4005 6.4736 6.5029 6.5310 6.5796 6.6463 6.6807 6.7100 6.7546 6.7980 6.8231 6.8671 6.8839 6.9189 6.9842 6.9964 7.0224 7.0768 7.1410 7.2357 7.2523 7.2825 7.3886 7.4397 7.4947 7.5572 7.7079 7.7896 7.8153 7.8906 7.9119 7.9590 7.9928 8.0354 8.0972 8.1269 8.1637 8.1758 8.1970 8.2224 8.2642 8.3564 8.3842 8.4116 8.4293 8.4672 8.5009 8.5330 8.5567 8.5666 8.5824 8.6532 8.6773 8.7029 8.7385 8.7666 8.8068 8.8461 8.9554 9.0034 9.0613 9.1321 9.1753 9.1948 9.2240 9.2840 9.3050 9.3354 9.3750 9.4508 9.4763 9.5274 9.6191 9.6536 9.7129 9.7575 9.7963 9.8509 9.8810 9.9048 9.9154 9.9756 10.0088 10.0252 10.0999 10.1200 10.1319 10.1961 10.2683 10.3362 10.4009 10.4550 10.5131 10.5414 10.5685 10.6097 10.6515 10.6775 10.7628 10.7820 10.8007 10.8436 10.8750 10.9017 10.9728 10.9925 11.0759 11.1138 -17.1429 -9.8813 -9.1663 -9.1168 -8.7567 -8.2650 -8.0750 -8.0481 -7.9131 -7.5867 -7.2305 -7.2235 -7.0323 -7.0139 -6.9795 -6.8759 -6.6133 -6.4698 -6.4485 -6.3954 -6.3665 -6.3477 -6.3292 -6.3197 -6.2668 -6.1636 -6.1314 -6.1068 -6.0980 -6.0650 -6.0358 -5.9929 -5.9546 -5.9270 -5.9192 -5.8677 -5.8363 -5.7976 -5.7931 -5.7843 -5.7640 -5.7457 -5.7412 -5.7304 -5.6798 -5.6607 -5.6528 -5.6476 -5.6381 -5.6181 -5.5960 -5.5769 -5.5591 -5.5192 -5.5094 -5.5021 -5.4994 -5.4742 -5.4681 -5.4612 -5.4577 -5.4537 -5.4486 -5.4424 -5.4269 -5.4163 -5.4035 -5.3934 -5.3707 -5.3482 -5.2868 -5.2665 -5.2354 -5.2251 -5.2105 -5.2085 -5.2059 -5.2007 -5.1970 -5.1793 -5.1681 -5.1483 -5.1317 -5.1184 -5.1121 -5.1042 -5.0655 -5.0499 -5.0464 -5.0438 -5.0401 -5.0028 -4.9796 -4.9750 -4.9699 -4.9663 -4.9539 -4.9423 -4.9343 -4.9172 -4.8902 -4.8802 -4.8679 -4.8519 -4.8417 -4.8247 -4.8075 -4.7886 -4.7622 -4.7592 -4.7521 -4.7478 -4.7349 -4.7197 -4.7015 -4.6813 -4.6736 -4.6694 -4.6612 -4.6519 -4.6485 -4.6398 -4.6355 -4.6289 -4.6237 -4.6137 -4.5989 -4.5864 -4.5800 -4.5725 -4.5688 -4.5528 -4.5444 -4.5430 -4.5383 -4.5345 -4.5288 -4.5002 -4.4947 -4.4864 -4.4773 -4.4639 -4.4574 -4.4534 -4.4500 -4.4449 -4.4318 -4.4251 -4.4243 -4.4146 -4.4099 -4.4058 -4.4036 -4.4022 -4.3984 -4.3944 -4.3785 -4.3734 -4.3655 -4.3597 -4.3546 -4.3532 -4.3498 -4.3451 -4.3284 -4.3265 -4.3178 -4.3106 -4.3020 -4.2989 -4.2942 -4.2869 -4.2755 -4.2682 -4.2587 -4.2451 -4.2352 -4.2306 -4.2280 -4.2240 -4.2188 -4.2126 -4.2045 -4.2023 -4.1993 -4.1972 -4.1896 -4.1851 -4.1816 -4.1754 -4.1665 -4.1523 -4.1344 -4.1240 -4.1015 -4.0984 -4.0893 -4.0855 -4.0666 -4.0633 -4.0558 -4.0362 -4.0301 -4.0269 -4.0127 -4.0069 -3.9933 -3.9839 -3.9829 -3.9738 -3.9704 -3.9672 -3.9622 -3.9502 -3.9460 -3.9426 -3.9350 -3.9295 -3.9197 -3.9128 -3.9082 -3.9044 -3.9017 -3.8959 -3.8904 -3.8851 -3.8823 -3.8777 -3.8615 -3.8364 -3.8284 -3.8155 -3.8102 -3.7959 -3.7822 -3.7798 -3.7705 -3.7409 -3.7292 -3.7003 -3.6956 -3.6889 -3.6840 -3.6771 -3.6664 -3.6568 -3.6533 -3.6510 -3.6459 -3.6408 -3.6341 -3.6290 -3.6206 -3.6152 -3.6130 -3.6048 -3.6003 -3.5956 -3.5886 -3.5852 -3.5785 -3.5742 -3.5630 -3.5586 -3.5568 -3.5432 -3.5390 -3.5309 -3.5291 -3.5220 -3.5171 -3.5123 -3.4926 -3.4907 -3.4768 -3.4729 -3.4696 -3.4662 -3.4586 -3.4532 -3.4512 -3.4473 -3.4403 -3.4145 -3.4134 -3.4114 -3.4042 -3.3998 -3.3954 -3.3902 -3.3746 -3.3683 -3.3655 -3.3536 -3.3518 -3.3413 -3.3384 -3.3277 -3.3232 -3.3187 -3.3111 -3.3060 -3.2973 -3.2947 -3.2855 -3.2832 -3.2786 -3.2767 -3.2693 -3.2666 -3.2601 -3.2572 -3.2535 -3.2467 -3.2429 -3.2411 -3.2384 -3.2343 -3.2317 -3.2301 -3.2274 -3.2206 -3.2192 -3.2140 -3.2061 -3.1948 -3.1819 -3.1734 -3.1695 -3.1631 -3.1621 -3.1555 -3.1500 -3.1463 -3.1318 -3.1117 -3.0954 -3.0892 -3.0692 -2.9828 -2.8933 -2.8497 -2.6657 -2.5645 -2.4610 -2.4486 -2.4386 -2.4178 -2.4002 -2.3228 -2.0367 -1.9657 -1.9171 -1.8746 -1.8271 -1.7527 -1.5484 -1.4394 -1.3312 -1.0921 -1.0334 -0.8671 -0.8399 -0.7861 -0.5917 -0.5226 -0.4727 -0.4100 -0.3632 -0.2550 -0.0838 -0.0552 0.0741 0.1725 0.2132 0.2406 0.3969 0.5224 0.6621 0.9395 1.0751 1.1881 1.2285 1.2987 1.3099 1.5432 1.5924 1.7786 1.8724 2.0325 2.0555 2.4383 2.5131 2.6274 2.7871 2.8041 2.8897 3.0004 3.0605 3.0981 3.1210 3.1414 3.1641 3.2038 3.3281 3.3654 3.4961 3.5649 3.5957 3.7554 3.7933 3.9887 4.0463 4.1054 4.1351 4.1591 4.2451 4.2871 4.3680 4.4114 4.5076 4.5708 4.6117 4.6288 4.6896 4.7451 4.8118 4.8447 4.9412 4.9838 5.0502 5.0972 5.1363 5.1562 5.2620 5.3800 5.4380 5.4954 5.5613 5.5851 5.6685 5.6845 5.8123 5.8757 5.9303 5.9903 6.0488 6.0796 6.1303 6.1805 6.1992 6.2246 6.2403 6.2892 6.3618 6.4762 6.5967 6.6570 6.7063 6.7882 6.8494 6.9256 6.9765 7.0317 7.1096 7.1418 7.2264 7.2389 7.2653 7.3172 7.3392 7.3650 7.4145 7.4366 7.4562 7.4879 7.5012 7.5278 7.5585 7.5859 7.6424 7.6685 7.7119 7.7502 7.7953 7.8780 7.9607 8.0271 8.0728 8.1186 8.1613 8.1881 8.2564 8.3056 8.3476 8.3786 8.3993 8.5081 8.5917 8.6406 8.6957 8.7430 8.8043 8.8419 8.8755 8.9199 8.9477 8.9943 9.0344 9.0735 9.1079 9.1392 9.1864 9.2166 9.2850 9.3048 9.3275 9.3620 9.4003 9.4521 9.4814 9.5229 9.5521 9.5618 9.5925 9.6338 9.6926 9.7239 9.7544 9.8325 9.8828 9.9388 9.9694 10.0243 10.1039 10.1620 10.2010 10.2666 10.2978 10.3362 10.3813 10.4084 10.4312 10.4750 10.5464 10.5903 10.6410 10.6782 10.6993 10.7683 10.8286 10.8610 10.9024 10.9345 10.9629 10.9857 11.0473 11.1050 11.1329 11.1654 -17.1429 -9.8807 -9.1759 -9.1063 -8.7566 -8.2663 -8.0770 -8.0429 -7.9221 -7.5785 -7.2298 -7.2186 -7.1123 -7.0170 -6.9219 -6.8164 -6.6486 -6.4988 -6.4625 -6.3756 -6.3490 -6.3390 -6.3307 -6.3202 -6.2860 -6.1968 -6.1221 -6.1109 -6.0753 -6.0579 -6.0072 -5.9883 -5.9621 -5.9375 -5.9102 -5.8606 -5.8395 -5.7999 -5.7947 -5.7891 -5.7697 -5.7471 -5.7377 -5.7286 -5.6931 -5.6612 -5.6555 -5.6456 -5.6271 -5.6159 -5.5979 -5.5743 -5.5561 -5.5189 -5.5072 -5.5031 -5.4984 -5.4771 -5.4651 -5.4628 -5.4576 -5.4532 -5.4473 -5.4405 -5.4280 -5.4183 -5.4051 -5.3974 -5.3774 -5.3509 -5.2876 -5.2606 -5.2340 -5.2261 -5.2116 -5.2100 -5.2064 -5.2018 -5.1922 -5.1750 -5.1616 -5.1528 -5.1348 -5.1188 -5.1153 -5.1079 -5.0652 -5.0562 -5.0466 -5.0430 -5.0231 -5.0046 -4.9816 -4.9767 -4.9696 -4.9644 -4.9556 -4.9520 -4.9290 -4.9217 -4.8885 -4.8812 -4.8653 -4.8490 -4.8425 -4.8230 -4.8103 -4.7881 -4.7626 -4.7613 -4.7536 -4.7481 -4.7364 -4.7253 -4.7024 -4.6814 -4.6722 -4.6691 -4.6608 -4.6497 -4.6411 -4.6373 -4.6309 -4.6272 -4.6238 -4.6150 -4.6080 -4.5842 -4.5806 -4.5745 -4.5704 -4.5518 -4.5489 -4.5403 -4.5382 -4.5295 -4.5268 -4.5006 -4.4954 -4.4857 -4.4740 -4.4659 -4.4618 -4.4579 -4.4490 -4.4399 -4.4336 -4.4261 -4.4233 -4.4169 -4.4109 -4.4055 -4.4023 -4.3994 -4.3975 -4.3887 -4.3771 -4.3736 -4.3668 -4.3644 -4.3602 -4.3546 -4.3487 -4.3415 -4.3304 -4.3214 -4.3132 -4.3053 -4.3011 -4.2953 -4.2930 -4.2846 -4.2761 -4.2645 -4.2609 -4.2470 -4.2398 -4.2323 -4.2289 -4.2225 -4.2178 -4.2069 -4.2055 -4.2005 -4.1982 -4.1945 -4.1913 -4.1887 -4.1861 -4.1811 -4.1699 -4.1638 -4.1342 -4.1136 -4.1026 -4.0978 -4.0847 -4.0831 -4.0744 -4.0652 -4.0485 -4.0460 -4.0297 -4.0255 -4.0163 -4.0032 -3.9891 -3.9847 -3.9802 -3.9751 -3.9724 -3.9667 -3.9623 -3.9521 -3.9450 -3.9408 -3.9359 -3.9283 -3.9218 -3.9132 -3.9090 -3.9058 -3.8977 -3.8939 -3.8911 -3.8885 -3.8773 -3.8688 -3.8588 -3.8323 -3.8188 -3.8137 -3.8063 -3.7960 -3.7929 -3.7829 -3.7779 -3.7525 -3.7305 -3.7052 -3.6977 -3.6890 -3.6869 -3.6726 -3.6660 -3.6599 -3.6526 -3.6480 -3.6459 -3.6423 -3.6341 -3.6281 -3.6246 -3.6204 -3.6089 -3.6073 -3.5995 -3.5922 -3.5863 -3.5854 -3.5801 -3.5740 -3.5632 -3.5598 -3.5511 -3.5460 -3.5393 -3.5349 -3.5317 -3.5251 -3.5140 -3.5068 -3.4909 -3.4858 -3.4820 -3.4736 -3.4696 -3.4631 -3.4591 -3.4551 -3.4463 -3.4431 -3.4389 -3.4160 -3.4131 -3.4122 -3.4026 -3.3984 -3.3957 -3.3920 -3.3804 -3.3666 -3.3628 -3.3522 -3.3488 -3.3425 -3.3389 -3.3306 -3.3200 -3.3163 -3.3110 -3.3033 -3.2947 -3.2921 -3.2869 -3.2830 -3.2825 -3.2765 -3.2724 -3.2686 -3.2630 -3.2551 -3.2504 -3.2469 -3.2431 -3.2402 -3.2376 -3.2336 -3.2310 -3.2271 -3.2242 -3.2222 -3.2173 -3.2158 -3.2029 -3.1984 -3.1891 -3.1828 -3.1747 -3.1650 -3.1621 -3.1563 -3.1519 -3.1479 -3.1335 -3.1173 -3.0925 -3.0872 -3.0331 -3.0190 -2.8953 -2.8298 -2.6775 -2.5674 -2.4732 -2.4574 -2.4394 -2.4261 -2.4060 -2.2411 -2.0789 -1.9638 -1.9419 -1.8681 -1.8335 -1.7406 -1.5699 -1.4402 -1.2930 -1.1541 -1.0563 -0.8508 -0.8368 -0.7028 -0.5790 -0.5413 -0.4499 -0.4336 -0.3598 -0.2479 -0.0980 -0.0466 0.0426 0.1816 0.2299 0.3044 0.3700 0.5215 0.6279 0.8436 1.0893 1.1918 1.2581 1.2897 1.3609 1.5383 1.6312 1.7349 1.9233 2.0386 2.0669 2.4184 2.5101 2.5821 2.7284 2.8325 2.8889 2.9897 3.0488 3.0870 3.1100 3.1536 3.1713 3.2304 3.3096 3.3490 3.5042 3.5572 3.6691 3.7672 3.8055 3.9985 4.0479 4.1226 4.1339 4.1535 4.2281 4.2940 4.3665 4.4196 4.4983 4.5707 4.6087 4.6295 4.7005 4.7587 4.7680 4.8564 4.9351 4.9722 5.0336 5.0875 5.1287 5.1651 5.2688 5.3764 5.4444 5.4815 5.5264 5.6281 5.6646 5.6842 5.8043 5.8543 5.9238 5.9713 6.0377 6.0944 6.1581 6.1840 6.2005 6.2332 6.2433 6.3146 6.3783 6.4975 6.6201 6.6630 6.7204 6.7777 6.8391 6.8915 6.9472 7.0150 7.1089 7.1729 7.2201 7.2494 7.2757 7.3181 7.3331 7.3632 7.3994 7.4283 7.4621 7.4768 7.4953 7.5242 7.5370 7.5867 7.6051 7.6540 7.7085 7.7619 7.8030 7.9493 7.9783 8.0246 8.0569 8.1281 8.1550 8.1901 8.2269 8.2870 8.3648 8.3871 8.4268 8.5209 8.5702 8.5854 8.7028 8.7516 8.7895 8.8491 8.8847 8.9146 8.9425 9.0032 9.0341 9.0823 9.1206 9.1467 9.2055 9.2239 9.2588 9.2927 9.3122 9.3500 9.4055 9.4287 9.4840 9.5186 9.5529 9.5809 9.6071 9.6317 9.6836 9.7088 9.7557 9.8110 9.8626 9.9133 9.9747 10.0226 10.1099 10.1410 10.2408 10.2672 10.3326 10.3565 10.3851 10.4048 10.4381 10.4862 10.4970 10.5848 10.6322 10.6744 10.7375 10.8008 10.8215 10.8781 10.8957 10.9427 10.9648 11.0057 11.0645 11.0971 11.1314 11.1621 -17.1429 -9.6075 -9.5501 -9.2099 -8.6361 -8.3284 -8.1602 -8.0621 -7.6596 -7.5160 -7.4438 -7.0604 -6.9276 -6.7979 -6.7916 -6.7076 -6.6592 -6.6463 -6.6266 -6.5584 -6.4334 -6.3546 -6.3503 -6.2774 -6.2281 -6.2020 -6.1922 -6.1583 -6.1025 -6.0678 -6.0484 -5.9979 -5.9729 -5.9457 -5.9188 -5.9066 -5.8755 -5.8590 -5.8318 -5.7763 -5.7527 -5.7458 -5.7360 -5.7167 -5.6959 -5.6845 -5.6471 -5.6137 -5.5950 -5.5801 -5.5775 -5.5704 -5.5647 -5.5543 -5.5439 -5.5347 -5.4921 -5.4872 -5.4604 -5.4513 -5.4424 -5.4340 -5.4237 -5.4095 -5.3820 -5.3720 -5.3566 -5.3355 -5.3265 -5.3209 -5.3185 -5.3081 -5.2991 -5.2918 -5.2593 -5.2322 -5.2262 -5.1983 -5.1890 -5.1509 -5.1450 -5.1408 -5.1293 -5.1225 -5.1207 -5.1134 -5.1016 -5.0968 -5.0780 -5.0614 -5.0499 -5.0318 -5.0076 -5.0006 -4.9899 -4.9779 -4.9600 -4.9029 -4.8939 -4.8881 -4.8759 -4.8690 -4.8623 -4.8332 -4.8011 -4.7940 -4.7839 -4.7812 -4.7717 -4.7641 -4.7445 -4.7317 -4.7294 -4.7221 -4.7106 -4.6878 -4.6792 -4.6612 -4.6580 -4.6542 -4.6487 -4.6453 -4.6276 -4.6161 -4.6082 -4.5961 -4.5793 -4.5556 -4.5492 -4.5452 -4.5385 -4.5346 -4.5308 -4.5233 -4.5198 -4.5119 -4.5056 -4.4988 -4.4937 -4.4867 -4.4842 -4.4823 -4.4733 -4.4707 -4.4649 -4.4607 -4.4572 -4.4528 -4.4352 -4.4286 -4.4235 -4.4171 -4.4094 -4.4051 -4.3948 -4.3884 -4.3840 -4.3800 -4.3754 -4.3732 -4.3691 -4.3657 -4.3620 -4.3562 -4.3499 -4.3456 -4.3406 -4.3316 -4.3282 -4.3237 -4.3217 -4.3123 -4.2978 -4.2859 -4.2771 -4.2673 -4.2505 -4.2428 -4.2380 -4.2235 -4.2161 -4.2141 -4.2094 -4.2083 -4.2042 -4.2002 -4.1964 -4.1868 -4.1805 -4.1683 -4.1437 -4.1361 -4.1317 -4.1191 -4.1120 -4.1043 -4.0930 -4.0547 -4.0445 -4.0415 -4.0350 -4.0164 -3.9933 -3.9819 -3.9777 -3.9715 -3.9683 -3.9614 -3.9545 -3.9529 -3.9432 -3.9398 -3.9339 -3.9270 -3.9205 -3.9165 -3.9036 -3.9018 -3.8896 -3.8831 -3.8802 -3.8715 -3.8664 -3.8603 -3.8560 -3.8493 -3.8435 -3.8294 -3.8276 -3.8234 -3.8166 -3.8060 -3.8008 -3.7913 -3.7853 -3.7816 -3.7436 -3.7354 -3.7270 -3.7181 -3.7104 -3.7055 -3.7023 -3.6917 -3.6788 -3.6713 -3.6665 -3.6609 -3.6561 -3.6512 -3.6447 -3.6253 -3.6208 -3.6098 -3.5990 -3.5917 -3.5856 -3.5827 -3.5781 -3.5738 -3.5713 -3.5620 -3.5576 -3.5498 -3.5405 -3.5274 -3.5238 -3.5142 -3.5052 -3.4997 -3.4905 -3.4799 -3.4694 -3.4665 -3.4588 -3.4550 -3.4463 -3.4458 -3.4394 -3.4349 -3.4321 -3.4287 -3.4222 -3.4185 -3.4171 -3.4105 -3.4084 -3.4035 -3.3885 -3.3875 -3.3810 -3.3740 -3.3624 -3.3582 -3.3496 -3.3428 -3.3294 -3.3265 -3.3242 -3.3191 -3.3106 -3.3068 -3.3047 -3.3004 -3.2949 -3.2936 -3.2885 -3.2847 -3.2840 -3.2802 -3.2780 -3.2753 -3.2728 -3.2690 -3.2627 -3.2568 -3.2475 -3.2409 -3.2369 -3.2307 -3.2283 -3.2213 -3.2137 -3.2051 -3.2013 -3.1987 -3.1929 -3.1861 -3.1766 -3.1631 -3.1589 -3.1501 -3.1401 -3.1369 -3.1252 -3.1176 -3.0893 -3.0439 -3.0176 -2.9839 -2.9491 -2.9388 -2.8700 -2.7505 -2.6752 -2.6567 -2.6134 -2.4936 -2.4677 -2.3975 -2.2370 -2.0371 -1.9995 -1.9495 -1.9134 -1.7373 -1.5790 -1.3906 -1.3150 -1.1861 -1.1148 -0.8769 -0.8350 -0.7677 -0.5592 -0.5425 -0.4866 -0.3284 -0.1911 -0.1246 -0.0342 0.0339 0.0960 0.3648 0.4955 0.5910 0.6829 0.8625 1.0131 1.0501 1.1255 1.1700 1.1917 1.2699 1.3765 1.4912 1.5856 1.5990 1.6521 1.8052 2.2191 2.3282 2.5167 2.7067 2.7570 2.7804 2.8032 2.8734 2.9874 3.0397 3.0859 3.1267 3.2032 3.2970 3.4617 3.4724 3.4928 3.5334 3.6414 3.7084 3.8091 3.8513 3.9312 4.0022 4.0576 4.1789 4.2125 4.2681 4.3427 4.3801 4.5772 4.6015 4.6246 4.6636 4.7017 4.7236 4.7418 4.7948 4.8568 4.9245 4.9534 4.9800 4.9976 5.0522 5.1159 5.1503 5.2033 5.2792 5.3288 5.4356 5.5298 5.6301 5.7178 5.8982 5.9534 5.9967 6.1107 6.1912 6.2238 6.2642 6.2841 6.3352 6.3679 6.4059 6.4466 6.5406 6.5611 6.5920 6.6799 6.7068 6.7495 6.8345 6.8611 6.9090 6.9487 6.9984 7.0500 7.0581 7.1269 7.1635 7.2094 7.2841 7.3165 7.3796 7.4197 7.5090 7.5744 7.5919 7.6650 7.6884 7.7283 7.8075 7.8840 7.9056 7.9343 8.0115 8.0366 8.0997 8.1716 8.2122 8.2367 8.2724 8.2904 8.3259 8.3473 8.3862 8.4613 8.5180 8.5740 8.6134 8.6444 8.7064 8.7517 8.8108 8.8306 8.9233 8.9389 8.9794 9.0891 9.1465 9.2080 9.2441 9.2921 9.3628 9.3802 9.4318 9.4559 9.5036 9.5481 9.5930 9.6599 9.6962 9.7284 9.7958 9.8289 9.8570 9.9442 9.9592 9.9976 10.0257 10.0446 10.1145 10.1641 10.2010 10.2555 10.3393 10.3702 10.4097 10.4317 10.4594 10.4906 10.5067 10.5267 10.5715 10.6172 10.6596 10.6944 10.7274 10.7528 10.7711 10.8083 10.8319 10.8503 10.8740 10.9140 10.9436 10.9702 10.9808 11.0258 11.0569 -17.1429 -9.5958 -9.5628 -9.2089 -8.6330 -8.3269 -8.1634 -8.0680 -7.6586 -7.5100 -7.4498 -7.0747 -6.8704 -6.8035 -6.7825 -6.7676 -6.6788 -6.6546 -6.5935 -6.5412 -6.4583 -6.3522 -6.3400 -6.2665 -6.2324 -6.2059 -6.1843 -6.1651 -6.1200 -6.0685 -6.0430 -5.9867 -5.9611 -5.9400 -5.9196 -5.9013 -5.8718 -5.8545 -5.8312 -5.7829 -5.7625 -5.7512 -5.7396 -5.7145 -5.6958 -5.6946 -5.6374 -5.6059 -5.5999 -5.5831 -5.5730 -5.5694 -5.5651 -5.5536 -5.5443 -5.5357 -5.4904 -5.4858 -5.4610 -5.4506 -5.4449 -5.4336 -5.4230 -5.4118 -5.3834 -5.3624 -5.3597 -5.3504 -5.3332 -5.3242 -5.3182 -5.3045 -5.2922 -5.2769 -5.2618 -5.2366 -5.2257 -5.1978 -5.1902 -5.1480 -5.1453 -5.1419 -5.1349 -5.1247 -5.1204 -5.1133 -5.1041 -5.0833 -5.0775 -5.0738 -5.0437 -5.0242 -5.0215 -4.9981 -4.9869 -4.9790 -4.9631 -4.9031 -4.8978 -4.8839 -4.8754 -4.8702 -4.8631 -4.8323 -4.8016 -4.7890 -4.7859 -4.7774 -4.7712 -4.7605 -4.7428 -4.7385 -4.7303 -4.7276 -4.7112 -4.6883 -4.6799 -4.6639 -4.6584 -4.6521 -4.6455 -4.6439 -4.6323 -4.6167 -4.6062 -4.5894 -4.5803 -4.5604 -4.5491 -4.5414 -4.5373 -4.5322 -4.5288 -4.5256 -4.5165 -4.5131 -4.5065 -4.5019 -4.4950 -4.4897 -4.4861 -4.4808 -4.4772 -4.4711 -4.4660 -4.4611 -4.4572 -4.4546 -4.4371 -4.4265 -4.4218 -4.4127 -4.4084 -4.3996 -4.3979 -4.3886 -4.3857 -4.3798 -4.3754 -4.3709 -4.3674 -4.3640 -4.3625 -4.3554 -4.3491 -4.3483 -4.3422 -4.3339 -4.3279 -4.3236 -4.3156 -4.3129 -4.2954 -4.2799 -4.2731 -4.2669 -4.2549 -4.2419 -4.2340 -4.2293 -4.2172 -4.2125 -4.2110 -4.2079 -4.2058 -4.2024 -4.1970 -4.1887 -4.1816 -4.1515 -4.1417 -4.1365 -4.1313 -4.1236 -4.1204 -4.1014 -4.0851 -4.0623 -4.0504 -4.0475 -4.0234 -4.0161 -3.9893 -3.9824 -3.9738 -3.9734 -3.9650 -3.9613 -3.9589 -3.9513 -3.9488 -3.9414 -3.9330 -3.9305 -3.9266 -3.9137 -3.9049 -3.8921 -3.8885 -3.8817 -3.8776 -3.8757 -3.8689 -3.8652 -3.8535 -3.8482 -3.8397 -3.8358 -3.8308 -3.8250 -3.8180 -3.8064 -3.7998 -3.7844 -3.7818 -3.7746 -3.7634 -3.7373 -3.7255 -3.7194 -3.7138 -3.7053 -3.7015 -3.6894 -3.6814 -3.6756 -3.6653 -3.6642 -3.6590 -3.6485 -3.6384 -3.6241 -3.6109 -3.6060 -3.6038 -3.5965 -3.5856 -3.5835 -3.5792 -3.5784 -3.5650 -3.5591 -3.5501 -3.5463 -3.5374 -3.5327 -3.5270 -3.5151 -3.5090 -3.4941 -3.4872 -3.4802 -3.4716 -3.4636 -3.4594 -3.4561 -3.4514 -3.4419 -3.4385 -3.4353 -3.4329 -3.4301 -3.4203 -3.4188 -3.4173 -3.4095 -3.4079 -3.4019 -3.3868 -3.3838 -3.3782 -3.3734 -3.3666 -3.3598 -3.3498 -3.3455 -3.3323 -3.3294 -3.3244 -3.3172 -3.3079 -3.3046 -3.3026 -3.3004 -3.2948 -3.2942 -3.2916 -3.2870 -3.2834 -3.2804 -3.2780 -3.2748 -3.2738 -3.2682 -3.2621 -3.2573 -3.2466 -3.2422 -3.2387 -3.2291 -3.2261 -3.2213 -3.2170 -3.2079 -3.1999 -3.1971 -3.1882 -3.1844 -3.1769 -3.1688 -3.1587 -3.1515 -3.1416 -3.1373 -3.1295 -3.1110 -3.0766 -3.0589 -3.0172 -3.0002 -2.9533 -2.9355 -2.8717 -2.7453 -2.6834 -2.6562 -2.6117 -2.4836 -2.4587 -2.4257 -2.2249 -2.0420 -1.9986 -1.9599 -1.8681 -1.7812 -1.5702 -1.3595 -1.3533 -1.1686 -1.1435 -0.8626 -0.8412 -0.7890 -0.5526 -0.5058 -0.4878 -0.3821 -0.1581 -0.1043 0.0264 0.0526 0.1362 0.2765 0.4477 0.6226 0.6671 0.8854 0.9571 1.0579 1.1218 1.1731 1.1957 1.2612 1.3793 1.5577 1.5990 1.6137 1.6327 1.7737 2.2184 2.3746 2.4508 2.7247 2.7619 2.7764 2.8122 2.8667 2.9875 3.0409 3.0662 3.1029 3.2009 3.3234 3.4434 3.4704 3.4903 3.5307 3.6451 3.6754 3.8352 3.8687 3.9456 4.0105 4.0679 4.1762 4.2371 4.2704 4.3109 4.4027 4.5730 4.6026 4.6176 4.6694 4.6922 4.7327 4.7667 4.7905 4.8741 4.8915 4.9373 4.9888 5.0051 5.0426 5.1006 5.1794 5.2152 5.2463 5.3688 5.4233 5.4653 5.6568 5.7277 5.8511 5.9402 5.9956 6.1266 6.1810 6.2274 6.2569 6.3151 6.3376 6.3724 6.4154 6.4564 6.5056 6.5918 6.6335 6.6624 6.6955 6.7663 6.8336 6.8449 6.8869 6.9637 6.9923 7.0288 7.0668 7.1254 7.1511 7.2228 7.2685 7.3091 7.3786 7.3877 7.4963 7.5780 7.6157 7.6733 7.7054 7.7412 7.7655 7.9146 7.9305 7.9457 8.0110 8.0408 8.1181 8.1599 8.1920 8.2520 8.2758 8.3082 8.3284 8.3470 8.4095 8.4548 8.4910 8.5481 8.6037 8.6332 8.6800 8.7572 8.7856 8.8362 8.9151 8.9268 9.0232 9.0730 9.1297 9.2114 9.2530 9.2914 9.3639 9.3925 9.4096 9.4652 9.4817 9.5357 9.5760 9.6424 9.7119 9.7222 9.7382 9.8271 9.8860 9.9418 9.9780 9.9809 10.0284 10.1186 10.1527 10.1685 10.2210 10.2737 10.3210 10.3644 10.4178 10.4340 10.4518 10.4806 10.5074 10.5185 10.5889 10.6057 10.6617 10.6907 10.7187 10.7386 10.7699 10.8105 10.8259 10.8643 10.8827 10.9206 10.9475 10.9632 10.9975 11.0189 11.0504 -17.1429 -9.8808 -9.1687 -9.1138 -8.7562 -8.2694 -8.0758 -8.0389 -7.9260 -7.5760 -7.2387 -7.2141 -7.1018 -7.0209 -6.9222 -6.8192 -6.6587 -6.4845 -6.4536 -6.3833 -6.3528 -6.3394 -6.3269 -6.3208 -6.2843 -6.1874 -6.1139 -6.1056 -6.1012 -6.0622 -6.0232 -5.9949 -5.9603 -5.9330 -5.8930 -5.8590 -5.8187 -5.8033 -5.7928 -5.7877 -5.7731 -5.7546 -5.7440 -5.7373 -5.6890 -5.6611 -5.6563 -5.6437 -5.6361 -5.6136 -5.5950 -5.5839 -5.5541 -5.5183 -5.5085 -5.5047 -5.4984 -5.4737 -5.4631 -5.4614 -5.4580 -5.4510 -5.4468 -5.4390 -5.4269 -5.4171 -5.4009 -5.3954 -5.3793 -5.3527 -5.2900 -5.2598 -5.2324 -5.2256 -5.2138 -5.2096 -5.2072 -5.1980 -5.1908 -5.1767 -5.1644 -5.1602 -5.1310 -5.1172 -5.1125 -5.1089 -5.0680 -5.0573 -5.0512 -5.0448 -5.0151 -5.0014 -4.9810 -4.9784 -4.9692 -4.9635 -4.9555 -4.9494 -4.9312 -4.9212 -4.8870 -4.8840 -4.8657 -4.8558 -4.8405 -4.8211 -4.8127 -4.7900 -4.7619 -4.7551 -4.7517 -4.7504 -4.7351 -4.7286 -4.6966 -4.6802 -4.6722 -4.6670 -4.6610 -4.6544 -4.6445 -4.6396 -4.6338 -4.6257 -4.6218 -4.6147 -4.6056 -4.5860 -4.5810 -4.5719 -4.5710 -4.5500 -4.5469 -4.5431 -4.5356 -4.5306 -4.5271 -4.5022 -4.4960 -4.4813 -4.4721 -4.4669 -4.4621 -4.4558 -4.4505 -4.4421 -4.4340 -4.4293 -4.4218 -4.4185 -4.4096 -4.4063 -4.4040 -4.4013 -4.3975 -4.3904 -4.3779 -4.3685 -4.3647 -4.3631 -4.3576 -4.3559 -4.3492 -4.3409 -4.3297 -4.3264 -4.3167 -4.3067 -4.3030 -4.2959 -4.2922 -4.2832 -4.2733 -4.2647 -4.2585 -4.2488 -4.2402 -4.2307 -4.2280 -4.2231 -4.2162 -4.2129 -4.2057 -4.2035 -4.1976 -4.1933 -4.1907 -4.1864 -4.1817 -4.1763 -4.1671 -4.1611 -4.1339 -4.1211 -4.1097 -4.1014 -4.0887 -4.0845 -4.0746 -4.0620 -4.0518 -4.0408 -4.0315 -4.0272 -4.0180 -4.0003 -3.9938 -3.9902 -3.9798 -3.9758 -3.9690 -3.9635 -3.9570 -3.9533 -3.9469 -3.9387 -3.9304 -3.9281 -3.9224 -3.9097 -3.9072 -3.9044 -3.9002 -3.8952 -3.8899 -3.8863 -3.8836 -3.8741 -3.8616 -3.8347 -3.8213 -3.8183 -3.8087 -3.7933 -3.7846 -3.7801 -3.7739 -3.7517 -3.7270 -3.7057 -3.6984 -3.6878 -3.6795 -3.6784 -3.6727 -3.6595 -3.6553 -3.6477 -3.6446 -3.6436 -3.6347 -3.6253 -3.6233 -3.6167 -3.6085 -3.6028 -3.6006 -3.5939 -3.5899 -3.5832 -3.5752 -3.5698 -3.5643 -3.5585 -3.5528 -3.5453 -3.5428 -3.5336 -3.5268 -3.5226 -3.5153 -3.5083 -3.4994 -3.4903 -3.4807 -3.4744 -3.4688 -3.4612 -3.4586 -3.4549 -3.4485 -3.4447 -3.4404 -3.4215 -3.4134 -3.4112 -3.4087 -3.3984 -3.3956 -3.3894 -3.3803 -3.3691 -3.3614 -3.3538 -3.3472 -3.3428 -3.3349 -3.3290 -3.3223 -3.3146 -3.3115 -3.3032 -3.3000 -3.2919 -3.2876 -3.2836 -3.2802 -3.2760 -3.2719 -3.2695 -3.2636 -3.2595 -3.2505 -3.2458 -3.2419 -3.2396 -3.2386 -3.2372 -3.2306 -3.2291 -3.2267 -3.2208 -3.2174 -3.2130 -3.2050 -3.1911 -3.1862 -3.1747 -3.1741 -3.1657 -3.1582 -3.1560 -3.1499 -3.1475 -3.1337 -3.1125 -3.0927 -3.0871 -3.0596 -2.9930 -2.8910 -2.8419 -2.6878 -2.5558 -2.4745 -2.4501 -2.4391 -2.4228 -2.3982 -2.2543 -2.0777 -1.9672 -1.9457 -1.8724 -1.8275 -1.7321 -1.5657 -1.4383 -1.2997 -1.1573 -1.0483 -0.8467 -0.8404 -0.7082 -0.5845 -0.5439 -0.4500 -0.4181 -0.3930 -0.2477 -0.0916 -0.0484 0.0611 0.1534 0.2337 0.2994 0.3664 0.5042 0.6707 0.8889 1.0869 1.1934 1.2295 1.2920 1.3604 1.5221 1.6277 1.7171 1.9311 2.0330 2.0471 2.4420 2.5163 2.6032 2.7369 2.8269 2.9042 2.9717 3.0533 3.0900 3.1016 3.1555 3.1754 3.2583 3.3040 3.3734 3.4870 3.5506 3.6071 3.7208 3.8325 4.0092 4.0236 4.1145 4.1427 4.1648 4.2163 4.3080 4.3781 4.4226 4.5137 4.5713 4.5977 4.6424 4.6949 4.7741 4.8290 4.8460 4.9475 4.9706 5.0361 5.1036 5.1139 5.1615 5.2546 5.3439 5.4446 5.5307 5.5584 5.5773 5.6665 5.6825 5.8143 5.8735 5.9254 5.9783 5.9929 6.0566 6.0979 6.1345 6.1774 6.1971 6.2286 6.2625 6.4570 6.5215 6.6090 6.6709 6.7665 6.8332 6.8613 6.9221 6.9820 7.0683 7.1137 7.1958 7.2386 7.2718 7.2990 7.3579 7.3712 7.3931 7.4223 7.4337 7.4525 7.4707 7.5071 7.5354 7.5588 7.5876 7.6421 7.6568 7.7035 7.7231 7.7400 7.8728 7.9044 7.9657 8.0047 8.0529 8.0835 8.1326 8.2044 8.2361 8.2876 8.2947 8.3413 8.3925 8.5791 8.6061 8.6805 8.7619 8.8286 8.8735 8.8853 8.9378 8.9567 8.9925 9.0254 9.1236 9.1462 9.2025 9.2846 9.3188 9.3524 9.3701 9.4287 9.4635 9.5170 9.5439 9.5608 9.5893 9.6035 9.6252 9.6437 9.6668 9.7052 9.7382 9.8027 9.8572 9.8985 9.9169 9.9485 10.0089 10.0688 10.1075 10.1675 10.2187 10.2591 10.3348 10.3495 10.3665 10.4022 10.4250 10.4646 10.5164 10.5390 10.5576 10.6459 10.6713 10.7097 10.7676 10.8466 10.9016 10.9287 10.9817 11.0171 11.0731 11.0770 11.1719 -17.1429 -9.8056 -9.4310 -8.8118 -8.6820 -8.6274 -8.3092 -7.8696 -7.5472 -7.4470 -7.4170 -7.3016 -6.9993 -6.9539 -6.8829 -6.8464 -6.6961 -6.5725 -6.5126 -6.4666 -6.4045 -6.3505 -6.2482 -6.2059 -6.1867 -6.1770 -6.1416 -6.1325 -6.0904 -6.0548 -6.0489 -6.0299 -6.0113 -6.0014 -5.9383 -5.9100 -5.8840 -5.8497 -5.8221 -5.7752 -5.7156 -5.6866 -5.6652 -5.6510 -5.6449 -5.6385 -5.6321 -5.6219 -5.6117 -5.6005 -5.5985 -5.5918 -5.5832 -5.5754 -5.5672 -5.5528 -5.5362 -5.5187 -5.5111 -5.4900 -5.4784 -5.4339 -5.4175 -5.4117 -5.3989 -5.3777 -5.3689 -5.3643 -5.3623 -5.3537 -5.3242 -5.2947 -5.2783 -5.2690 -5.2392 -5.1909 -5.1864 -5.1744 -5.1615 -5.1606 -5.1467 -5.1282 -5.1109 -5.1056 -5.0945 -5.0886 -5.0840 -5.0777 -5.0677 -5.0529 -5.0327 -5.0094 -5.0058 -4.9995 -4.9905 -4.9765 -4.9642 -4.9072 -4.9053 -4.8906 -4.8843 -4.8821 -4.8790 -4.8591 -4.8523 -4.8436 -4.8305 -4.8184 -4.7857 -4.7801 -4.7494 -4.7236 -4.7146 -4.7110 -4.6996 -4.6930 -4.6849 -4.6782 -4.6745 -4.6614 -4.6548 -4.6419 -4.6310 -4.6232 -4.5948 -4.5909 -4.5835 -4.5665 -4.5619 -4.5543 -4.5448 -4.5393 -4.5308 -4.5273 -4.5234 -4.5137 -4.5077 -4.4967 -4.4901 -4.4682 -4.4666 -4.4565 -4.4519 -4.4419 -4.4380 -4.4288 -4.4233 -4.4186 -4.4133 -4.4108 -4.4033 -4.4014 -4.4000 -4.3893 -4.3862 -4.3830 -4.3730 -4.3693 -4.3658 -4.3584 -4.3568 -4.3490 -4.3434 -4.3403 -4.3363 -4.3316 -4.3285 -4.3248 -4.3239 -4.3192 -4.3150 -4.3002 -4.2948 -4.2884 -4.2828 -4.2816 -4.2738 -4.2590 -4.2491 -4.2446 -4.2392 -4.2268 -4.2236 -4.2101 -4.2044 -4.1979 -4.1937 -4.1903 -4.1814 -4.1764 -4.1571 -4.1520 -4.1438 -4.1378 -4.1179 -4.1104 -4.0990 -4.0961 -4.0925 -4.0878 -4.0716 -4.0646 -4.0399 -4.0142 -4.0049 -3.9950 -3.9854 -3.9782 -3.9676 -3.9623 -3.9587 -3.9504 -3.9435 -3.9391 -3.9321 -3.9317 -3.9283 -3.9257 -3.9167 -3.9136 -3.9086 -3.9066 -3.8975 -3.8774 -3.8634 -3.8401 -3.8263 -3.8174 -3.8160 -3.8061 -3.7991 -3.7976 -3.7917 -3.7890 -3.7829 -3.7705 -3.7637 -3.7427 -3.7209 -3.7122 -3.6959 -3.6910 -3.6832 -3.6767 -3.6726 -3.6699 -3.6622 -3.6595 -3.6487 -3.6415 -3.6367 -3.6325 -3.6233 -3.6187 -3.6116 -3.6085 -3.6047 -3.5995 -3.5850 -3.5819 -3.5767 -3.5690 -3.5601 -3.5562 -3.5503 -3.5407 -3.5339 -3.5219 -3.5166 -3.5119 -3.5085 -3.4993 -3.4912 -3.4826 -3.4764 -3.4641 -3.4595 -3.4536 -3.4481 -3.4414 -3.4389 -3.4344 -3.4227 -3.4187 -3.4031 -3.3928 -3.3837 -3.3759 -3.3738 -3.3679 -3.3651 -3.3579 -3.3535 -3.3435 -3.3398 -3.3353 -3.3304 -3.3263 -3.3224 -3.3181 -3.3136 -3.3075 -3.2983 -3.2947 -3.2921 -3.2883 -3.2859 -3.2814 -3.2776 -3.2725 -3.2679 -3.2643 -3.2550 -3.2499 -3.2447 -3.2397 -3.2340 -3.2287 -3.2255 -3.2194 -3.2179 -3.2157 -3.2125 -3.2112 -3.2082 -3.2027 -3.1914 -3.1846 -3.1805 -3.1696 -3.1601 -3.1473 -3.1334 -3.1310 -3.1199 -3.1174 -3.1025 -3.0981 -3.0806 -3.0225 -2.9321 -2.8989 -2.8905 -2.8085 -2.7216 -2.6546 -2.5672 -2.4493 -2.2517 -2.0790 -1.9514 -1.8257 -1.7495 -1.7366 -1.7217 -1.6970 -1.5837 -1.4935 -1.3530 -1.2351 -1.0820 -1.0749 -1.0435 -1.0081 -0.9771 -0.9217 -0.6387 -0.3426 -0.0415 0.1800 0.2144 0.2227 0.2362 0.2523 0.3188 0.4271 0.5958 0.7552 0.8334 0.8903 0.9958 1.0321 1.1292 1.1608 1.2131 1.4806 1.6882 1.7546 1.9402 1.9858 2.3022 2.3704 2.4039 2.5640 2.6219 2.7864 2.8596 2.9089 2.9479 3.0428 3.2399 3.2735 3.2828 3.3101 3.3339 3.3848 3.4329 3.4981 3.5300 3.5986 3.7444 3.8451 3.9513 4.0190 4.0380 4.1183 4.2234 4.4101 4.4498 4.4851 4.5301 4.5567 4.5844 4.6326 4.6857 4.7581 4.7741 4.8009 4.8422 4.9510 5.1010 5.1580 5.1784 5.2041 5.3260 5.3740 5.4504 5.4663 5.4911 5.5590 5.5938 5.6803 5.7042 5.7848 5.9861 6.0109 6.0408 6.0911 6.1113 6.1384 6.1759 6.2558 6.3120 6.3921 6.4003 6.4683 6.4933 6.5755 6.6569 6.7433 6.7561 6.8590 6.9010 6.9960 7.0489 7.1181 7.1628 7.2138 7.2764 7.2974 7.3153 7.3641 7.3939 7.4133 7.4534 7.4918 7.5731 7.6830 7.7159 7.7326 7.7799 7.8103 7.8764 7.9071 7.9461 7.9828 8.0337 8.0503 8.0855 8.1110 8.1443 8.1714 8.1911 8.2408 8.2870 8.3252 8.3511 8.3716 8.4109 8.4249 8.5032 8.5535 8.6103 8.7164 8.7866 8.8409 8.9321 9.0164 9.0398 9.1150 9.1674 9.2027 9.2437 9.2952 9.3244 9.3487 9.4623 9.5019 9.5461 9.6024 9.6467 9.6962 9.7066 9.7330 9.7631 9.7930 9.8502 9.8781 9.9210 9.9764 10.0191 10.0521 10.0850 10.1073 10.1431 10.1620 10.2115 10.2320 10.2557 10.2726 10.2875 10.3037 10.3294 10.3697 10.3888 10.4190 10.5060 10.5945 10.6452 10.7593 10.7868 10.8381 10.8735 10.9257 10.9573 11.0472 11.0666 11.0856 11.1086 11.1213 -17.1429 -9.6013 -9.5580 -9.2079 -8.6352 -8.3323 -8.1560 -8.0611 -7.6644 -7.5152 -7.4418 -7.0647 -6.9200 -6.7968 -6.7867 -6.7125 -6.6631 -6.6534 -6.6258 -6.5572 -6.4329 -6.3580 -6.3376 -6.2774 -6.2491 -6.2041 -6.1874 -6.1591 -6.0942 -6.0659 -6.0465 -5.9929 -5.9598 -5.9447 -5.9296 -5.9142 -5.8772 -5.8716 -5.8186 -5.7707 -5.7571 -5.7502 -5.7404 -5.7071 -5.7000 -5.6923 -5.6333 -5.6051 -5.5977 -5.5823 -5.5724 -5.5681 -5.5630 -5.5582 -5.5449 -5.5351 -5.4910 -5.4865 -5.4626 -5.4506 -5.4458 -5.4322 -5.4224 -5.4117 -5.3800 -5.3708 -5.3582 -5.3530 -5.3319 -5.3240 -5.3143 -5.3090 -5.2942 -5.2780 -5.2609 -5.2420 -5.2170 -5.1995 -5.1901 -5.1490 -5.1453 -5.1410 -5.1338 -5.1230 -5.1185 -5.1078 -5.1065 -5.0918 -5.0786 -5.0575 -5.0517 -5.0349 -5.0132 -5.0007 -4.9871 -4.9795 -4.9653 -4.8989 -4.8964 -4.8842 -4.8776 -4.8685 -4.8650 -4.8343 -4.7976 -4.7922 -4.7834 -4.7796 -4.7702 -4.7625 -4.7442 -4.7358 -4.7332 -4.7235 -4.7065 -4.6906 -4.6789 -4.6614 -4.6574 -4.6517 -4.6504 -4.6451 -4.6316 -4.6160 -4.6068 -4.5895 -4.5834 -4.5589 -4.5488 -4.5478 -4.5349 -4.5288 -4.5262 -4.5226 -4.5210 -4.5130 -4.5069 -4.5032 -4.4959 -4.4885 -4.4843 -4.4783 -4.4764 -4.4731 -4.4647 -4.4606 -4.4558 -4.4539 -4.4363 -4.4250 -4.4208 -4.4149 -4.4093 -4.4068 -4.3913 -4.3891 -4.3876 -4.3799 -4.3738 -4.3712 -4.3694 -4.3657 -4.3624 -4.3583 -4.3487 -4.3468 -4.3434 -4.3351 -4.3264 -4.3240 -4.3184 -4.3103 -4.2992 -4.2851 -4.2753 -4.2709 -4.2494 -4.2382 -4.2342 -4.2300 -4.2202 -4.2147 -4.2087 -4.2068 -4.2034 -4.1970 -4.1966 -4.1934 -4.1781 -4.1628 -4.1483 -4.1398 -4.1350 -4.1219 -4.1124 -4.1029 -4.0814 -4.0521 -4.0479 -4.0424 -4.0288 -4.0195 -3.9885 -3.9813 -3.9768 -3.9718 -3.9688 -3.9613 -3.9571 -3.9511 -3.9474 -3.9409 -3.9352 -3.9293 -3.9218 -3.9163 -3.9072 -3.8994 -3.8914 -3.8843 -3.8776 -3.8710 -3.8649 -3.8586 -3.8557 -3.8465 -3.8445 -3.8311 -3.8286 -3.8214 -3.8172 -3.8040 -3.7985 -3.7887 -3.7828 -3.7762 -3.7575 -3.7343 -3.7265 -3.7177 -3.7113 -3.7056 -3.7007 -3.6964 -3.6746 -3.6724 -3.6666 -3.6617 -3.6553 -3.6523 -3.6452 -3.6265 -3.6115 -3.6096 -3.6006 -3.5900 -3.5865 -3.5820 -3.5798 -3.5754 -3.5659 -3.5613 -3.5525 -3.5484 -3.5418 -3.5326 -3.5253 -3.5161 -3.5044 -3.4994 -3.4904 -3.4789 -3.4679 -3.4667 -3.4616 -3.4563 -3.4477 -3.4415 -3.4400 -3.4339 -3.4299 -3.4251 -3.4223 -3.4206 -3.4156 -3.4107 -3.4075 -3.4028 -3.3899 -3.3827 -3.3783 -3.3699 -3.3658 -3.3594 -3.3518 -3.3416 -3.3322 -3.3265 -3.3246 -3.3164 -3.3112 -3.3066 -3.3037 -3.3020 -3.2960 -3.2935 -3.2897 -3.2862 -3.2828 -3.2805 -3.2767 -3.2740 -3.2719 -3.2685 -3.2650 -3.2544 -3.2510 -3.2457 -3.2376 -3.2287 -3.2282 -3.2246 -3.2142 -3.2051 -3.2009 -3.1980 -3.1916 -3.1876 -3.1729 -3.1672 -3.1589 -3.1516 -3.1423 -3.1362 -3.1273 -3.1143 -3.0833 -3.0632 -3.0135 -3.0041 -2.9432 -2.9349 -2.8665 -2.7503 -2.6756 -2.6711 -2.6079 -2.4952 -2.4556 -2.3916 -2.2481 -2.0421 -2.0074 -1.9428 -1.8989 -1.7490 -1.5670 -1.3932 -1.3164 -1.2005 -1.1047 -0.8840 -0.8354 -0.7619 -0.5635 -0.5292 -0.4784 -0.3222 -0.1975 -0.1139 -0.0311 0.0327 0.0975 0.3319 0.5118 0.5997 0.6681 0.8534 1.0164 1.0623 1.1223 1.1513 1.1910 1.2762 1.3789 1.5093 1.5786 1.5978 1.6612 1.8101 2.2044 2.3276 2.5278 2.6987 2.7461 2.7818 2.8042 2.8848 2.9826 3.0413 3.0888 3.1214 3.1992 3.3004 3.4568 3.4722 3.4901 3.5332 3.6249 3.7057 3.8273 3.8741 3.9356 3.9991 4.0707 4.1703 4.2102 4.2857 4.3303 4.3858 4.5608 4.5920 4.6050 4.6384 4.6813 4.7287 4.7489 4.7759 4.8560 4.9254 4.9582 4.9967 5.0318 5.0999 5.1271 5.1680 5.2021 5.2360 5.3520 5.4132 5.4535 5.6492 5.7245 5.9248 5.9679 6.1076 6.1309 6.1638 6.1840 6.2630 6.3000 6.3337 6.3666 6.3947 6.4462 6.4840 6.5560 6.5743 6.6174 6.6346 6.7054 6.8165 6.8688 6.8824 6.9617 6.9829 7.0685 7.1110 7.1615 7.1984 7.2747 7.3016 7.3314 7.4037 7.4773 7.5066 7.5793 7.6247 7.6505 7.7305 7.7806 7.8409 7.8636 7.9157 7.9447 7.9512 7.9684 8.0059 8.0526 8.1013 8.1966 8.2425 8.2558 8.3379 8.3989 8.4398 8.5010 8.5538 8.5841 8.6546 8.7287 8.7573 8.8361 8.8631 8.9004 8.9636 8.9873 9.0640 9.0998 9.1361 9.1568 9.2155 9.2341 9.3416 9.3632 9.3960 9.4410 9.4761 9.5053 9.5148 9.6034 9.6227 9.6875 9.7448 9.8637 9.9082 9.9482 9.9976 10.0110 10.0323 10.0368 10.0696 10.1051 10.1262 10.1742 10.2203 10.3002 10.3324 10.3864 10.3983 10.4314 10.4524 10.4789 10.5043 10.5385 10.6763 10.6969 10.7452 10.7588 10.8308 10.8855 10.9162 10.9590 10.9905 11.0299 11.0555 11.0897 11.1036 11.1182 11.1526</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 1.00001 1.01077 0.99149 0.99121 0.98478 0.97815 0.96999 0.93198 0.67445 0.63536 0.34666 -0.02554 -0.00154 -0.00131 -0.00073 -0.00052 -0.00025 -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 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 1.00005 1.00076 1.00800 1.02333 1.02882 0.97123 0.93937 0.69212 0.53523 -0.01929 -0.01377 -0.00348 -0.00061 -0.00031 -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 0.00000 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 1.00005 1.00028 1.00735 1.02583 1.01456 0.98267 0.94132 0.75331 0.36925 0.02788 -0.02795 -0.00125 -0.00064 -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 0.00000 0.00000 0.00000 0.00000 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 1.00003 1.00193 1.01364 1.03381 0.97936 0.96727 0.93325 0.88582 0.41898 0.11880 -0.03490 -0.01197 -0.00091 -0.00075 -0.00034 -0.00024 -0.00008 -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 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 1.00228 1.02515 1.03037 0.97374 0.96389 0.91142 0.85899 0.63395 0.06411 -0.03424 -0.01822 -0.00115 -0.00062 -0.00040 -0.00025 -0.00003 -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 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 1.00004 1.00092 1.00838 1.02580 1.03135 0.97967 0.92473 0.72761 0.45428 -0.00356 -0.01496 -0.00309 -0.00069 -0.00025 -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 0.00000 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 1.00390 1.01259 1.02273 1.03197 1.03468 0.98613 0.30596 0.01485 -0.03417 -0.00107 -0.00026 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 1.00002 1.00167 1.01292 1.01722 1.03306 1.03525 0.96819 0.39186 0.01591 -0.02704 -0.00386 -0.00046 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 1.00003 1.00387 1.00752 1.01565 1.02359 0.96259 0.42969 -0.02759 -0.03164 -0.00682 -0.00176 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 1.00004 1.00353 1.00763 1.01364 1.03306 1.01588 0.39294 -0.03514 -0.03543 -0.00503 -0.00315 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 1.00002 1.00171 1.01232 1.01642 1.03235 1.03473 0.95352 0.37481 0.01338 -0.02853 -0.00410 -0.00038 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 1.00002 1.00167 1.01527 1.03451 0.98163 0.96142 0.93297 0.87367 0.44935 0.12407 -0.03544 -0.01433 -0.00085 -0.00072 -0.00033 -0.00013 -0.00006 -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 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 1.00002 1.00352 1.00658 1.01703 1.02693 0.98094 0.37981 -0.02637 -0.03191 -0.00863 -0.00141 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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="198"
                          dataType="xsd:double"
                          dictRef="cc:force"
                          rows="43"
                          units="nonsi2:ev.angstrom-1">-0.006279 -0.017872 0.103846 -0.023864 0.008619 0.103145 -0.007177 -0.006947 0.108470 0.011826 0.008737 0.096472 -0.015778 0.004767 -0.114805 -0.008167 0.021704 -0.107751 0.009771 -0.002800 -0.087714 0.016031 0.021069 -0.133450 0.017731 -0.008381 -0.024960 -0.013820 0.001498 0.001333 0.055907 0.017496 0.070130 -0.017678 0.023136 -0.102880 0.038882 0.010297 0.041823 -0.061696 0.003355 0.005637 0.146837 0.023021 0.256194 0.014105 -0.204696 0.302088 -0.002989 0.016128 0.079440 -0.013041 -0.005318 0.096265 -0.007273 0.001820 0.075043 -0.022468 -0.012643 0.076626 0.016229 -0.011245 -0.100027 0.019529 0.017025 -0.080781 0.014271 0.006475 -0.085366 0.000032 -0.006594 -0.114800 -0.004427 0.009587 0.007464 0.011442 -0.008568 -0.027062 0.005632 -0.073246 0.072117 -0.011774 0.011184 -0.019780 0.003722 -0.015785 -0.015002 -0.004345 -0.001057 0.016568 -0.001598 0.006386 -0.023429 0.002341 0.007918 -0.019834 -0.002510 -0.016673 0.100043 -0.001856 0.019547 0.096496 -0.008575 -0.030583 0.071301 -0.009463 0.028077 0.088379 0.038475 0.006325 -0.137558 -0.001801 -0.003858 -0.102205 0.001665 -0.001957 -0.067133 0.025383 -0.004465 -0.090147 0.012584 -0.051022 -0.185142 0.058303 0.037739 -0.187351 -0.089820 0.043292 0.095032 -0.027734 -0.017524 0.029901 -0.014771 -0.011265 0.222090 0.109854 0.065816 -0.032584 0.014796 -0.008087 -0.037478 -0.003789 -0.014424 0.012902 0.000938 -0.016259 0.086905 0.012217 -0.016315 0.086213 -0.011534 -0.001729 0.074720 0.001781 -0.000417 0.100811 -0.000828 0.015791 -0.108176 -0.032348 0.024115 -0.100809 0.004522 -0.057725 -0.058936 0.052310 0.049376 -0.058554 -0.015376 -0.012807 0.021552 0.002343 0.006512 0.029124 0.009014 -0.002255 0.011212 0.000774 0.025749 0.025582 -0.009011 0.004339 0.010026 -0.004788 -0.123806 -0.042519 0.006165 0.001795 0.013911 0.014811 -0.008334 -0.037681 -0.341592 0.050558 0.011000 0.047944 0.175404 -0.395947 -0.006379 -0.017886 0.103942 -0.023917 0.008649 0.103137 -0.007074 -0.006843 0.108257 0.011752 0.008626 0.096338 -0.016620 0.004007 -0.115148 -0.007870 0.022892 -0.107835 0.009230 -0.002489 -0.090937 0.015752 0.023157 -0.134946 0.017676 -0.007907 -0.023081 -0.013920 0.000461 0.001581 0.053882 0.018498 0.069670 -0.014884 0.021326 -0.092381 0.037187 0.008458 0.038938 -0.056372 0.002758 0.004784 0.137913 0.016930 0.240409 0.015880 -0.192827 0.282082 -0.003041 0.016158 0.079558 -0.013059 -0.005263 0.096128 -0.007322 0.001800 0.075183 -0.022508 -0.012594 0.076721 0.016148 -0.012065 -0.099412 0.019986 0.017365 -0.080450 0.014465 0.006355 -0.084901 -0.001448 -0.007336 -0.116146 -0.004455 0.008995 0.007079 0.011104 -0.008298 -0.024924 0.004583 -0.073945 0.072620 -0.010843 0.010650 -0.018759 0.004823 -0.017793 -0.013691 -0.003724 -0.000518 0.014827 -0.003030 0.004111 -0.022531 0.002323 0.008418 -0.018476 -0.002621 -0.016634 0.099756 -0.001899 0.019613 0.096451 -0.008720 -0.030566 0.071410 -0.009532 0.028070 0.088431 0.040177 0.004930 -0.138784 -0.001810 -0.003909 -0.101345 0.001391 -0.001643 -0.067101 0.025149 -0.004325 -0.090002 0.010890 -0.044091 -0.167353 0.052265 0.034627 -0.170704 -0.086046 0.040004 0.089593 -0.025036 -0.016462 0.027205 0.003278 -0.019307 0.197439 0.104344 0.062066 -0.032449 0.014229 -0.008354 -0.035819 -0.002934 -0.013470 0.012619 0.000823 -0.016212 0.086960 0.012209 -0.016291 0.086115 -0.011595 -0.001622 0.074761 0.001592 -0.000311 0.100904 -0.000955 0.015759 -0.107369 -0.030600 0.023641 -0.101588 0.004096 -0.057715 -0.059006 0.051140 0.049984 -0.057132 -0.014176 -0.010548 0.019471 0.001175 0.004779 0.026277 0.008234 -0.002052 0.011132 0.001338 0.023113 0.023056 -0.008672 0.003852 0.010243 -0.005087 -0.116201 -0.042140 0.006238 0.001303 0.013460 0.014385 -0.007946 -0.035915 -0.334377 0.050404 0.014856 0.034872 0.181662 -0.371068 -0.006545 -0.018031 0.104183 -0.024003 0.008560 0.103148 -0.006891 -0.006735 0.107995 0.011614 0.008281 0.096137 -0.019415 0.001279 -0.116373 -0.006798 0.026811 -0.108274 0.007534 -0.001580 -0.101444 0.014894 0.030059 -0.139890 0.017043 -0.006392 -0.017362 -0.012976 -0.001708 0.001099 0.048975 0.020478 0.069157 -0.005843 0.016044 -0.058959 0.031570 0.002244 0.028979 -0.043008 0.002266 0.000058 0.103741 0.000586 0.192994 0.024992 -0.153137 0.226208 -0.003123 0.016090 0.079802 -0.013125 -0.005230 0.095818 -0.007496 0.001619 0.075502 -0.022582 -0.012529 0.076925 0.015982 -0.015279 -0.097203 0.021921 0.018500 -0.079159 0.015174 0.005783 -0.083029 -0.006483 -0.009929 -0.120718 -0.004031 0.008209 0.006512 0.010405 -0.006545 -0.021104 0.003543 -0.073825 0.075693 -0.009351 0.008795 -0.016024 0.008367 -0.023082 -0.011007 -0.001983 -0.000593 0.009710 -0.007607 -0.002343 -0.019611 0.003273 0.011036 -0.013905 -0.002925 -0.016581 0.099311 -0.002048 0.019600 0.096410 -0.008989 -0.030636 0.071692 -0.009685 0.027911 0.088507 0.045972 0.000169 -0.142893 -0.001888 -0.004280 -0.098346 0.000487 -0.000692 -0.066722 0.024594 -0.004082 -0.089475 0.008567 -0.030104 -0.119212 0.032439 0.027274 -0.117565 -0.075807 0.034342 0.075753 -0.015411 -0.014884 0.018967 0.054464 -0.043881 0.125271 0.084921 0.049935 -0.031355 0.013448 -0.008825 -0.028959 0.000140 -0.010944 0.011335 0.000587 -0.016185 0.087118 0.012161 -0.016322 0.086027 -0.011698 -0.001489 0.074869 0.001198 -0.000211 0.101175 -0.001291 0.015605 -0.104553 -0.024609 0.021860 -0.104279 0.002680 -0.057836 -0.058895 0.047150 0.051965 -0.052320 -0.010135 -0.002947 0.012373 -0.002525 -0.000933 0.017669 0.005876 -0.001583 0.011079 0.004494 0.016267 0.014803 -0.007526 0.002197 0.010920 -0.005629 -0.090760 -0.039566 0.006497 -0.002246 0.012571 0.012815 -0.006979 -0.029767 -0.311818 0.045551 0.016652 -0.004274 0.200023 -0.294457 -0.006869 -0.018271 0.104304 -0.024120 0.008436 0.102853 -0.006418 -0.006406 0.107027 0.011370 0.007622 0.095353 -0.024934 -0.004102 -0.119375 -0.004636 0.034680 -0.109715 0.004066 0.000353 -0.123315 0.013231 0.044246 -0.150659 0.016190 -0.003603 -0.006060 -0.014573 -0.006088 0.000275 0.039833 0.025150 0.066102 0.009934 0.002965 0.008518 0.019987 -0.010789 0.008554 -0.017136 0.002799 -0.010422 0.033848 -0.036420 0.098595 0.037360 -0.070078 0.124369 -0.003258 0.016001 0.079977 -0.013197 -0.005102 0.094762 -0.007761 0.001295 0.075820 -0.022679 -0.012360 0.077035 0.015712 -0.021319 -0.093553 0.025631 0.020710 -0.077289 0.016623 0.004712 -0.079870 -0.016689 -0.015132 -0.130718 -0.004949 0.007709 0.004624 0.007674 -0.003461 -0.013264 -0.000533 -0.074416 0.078383 -0.005658 0.004277 -0.011163 0.014862 -0.034852 -0.006065 0.001253 0.000621 0.000759 -0.016238 -0.017327 -0.013090 0.005561 0.016779 -0.004752 -0.003451 -0.016481 0.097838 -0.002290 0.019655 0.095992 -0.009524 -0.030698 0.071942 -0.009958 0.027627 0.088355 0.057810 -0.009404 -0.151985 -0.001977 -0.004932 -0.092931 -0.001211 0.001249 -0.066515 0.023499 -0.003536 -0.088863 0.003292 -0.001512 -0.023078 -0.005070 0.011499 -0.018255 -0.052873 0.023487 0.051183 0.003326 -0.010970 0.001734 0.167369 -0.098219 -0.016676 0.050300 0.029897 -0.030011 0.010410 -0.010159 -0.016455 0.007629 -0.003563 0.008344 0.000120 -0.016091 0.087132 0.012135 -0.016315 0.085467 -0.011875 -0.001145 0.074779 0.000392 0.000079 0.101401 -0.001908 0.015327 -0.099489 -0.012393 0.018257 -0.110443 -0.000068 -0.058023 -0.059193 0.039637 0.055770 -0.043691 -0.001456 0.012354 -0.001337 -0.009909 -0.012172 0.000025 0.001252 -0.000581 0.010465 0.011454 0.002026 -0.003041 -0.004888 -0.001787 0.011841 -0.004502 -0.044189 -0.033446 0.006347 -0.008642 0.009675 0.009277 -0.004761 -0.016471 -0.271351 0.042741 0.031848 -0.083030 0.234581 -0.134141 -0.006912 -0.018921 0.105037 -0.023598 0.007990 0.102699 -0.004812 -0.005935 0.105572 0.011562 0.006185 0.093928 -0.035538 -0.015321 -0.125503 0.000422 0.050706 -0.112739 -0.002813 0.004470 -0.169146 0.010583 0.074487 -0.173939 0.014569 0.001798 0.018817 -0.016043 -0.014036 -0.000866 0.021088 0.032090 0.057493 0.040453 -0.020171 0.131152 -0.008321 -0.037802 -0.038292 0.031127 -0.001130 -0.028083 -0.139006 -0.124366 -0.080219 0.051708 0.161674 -0.089387 -0.002861 0.015644 0.080875 -0.012641 -0.005006 0.093201 -0.007584 0.000488 0.076925 -0.022220 -0.012235 0.077682 0.015949 -0.032958 -0.086663 0.033413 0.024717 -0.073822 0.020140 0.002427 -0.073131 -0.038033 -0.026367 -0.152465 -0.004728 0.005370 0.000867 0.004701 0.004843 0.001627 -0.006211 -0.068817 0.077776 0.002842 -0.005568 0.001209 0.026204 -0.057045 0.003837 0.008638 0.002611 -0.016949 -0.032184 -0.043700 -0.000556 0.008047 0.023702 0.015986 -0.003799 -0.016476 0.095078 -0.002137 0.019552 0.095560 -0.009876 -0.031011 0.072891 -0.009833 0.026801 0.088555 0.083763 -0.029624 -0.172000 -0.001534 -0.006412 -0.081667 -0.003807 0.004953 -0.065776 0.022014 -0.002635 -0.087096 -0.006214 0.059749 0.154635 -0.075698 -0.021548 0.172433 -0.008194 -0.000045 0.001502 0.041282 -0.004350 -0.031439 0.422819 -0.231715 -0.288954 -0.030386 -0.017246 -0.025304 0.006241 -0.012535 0.009228 0.021934 0.007383 0.003657 -0.000189 -0.016050 0.087662 0.012741 -0.016411 0.084920 -0.011543 -0.000585 0.075070 -0.000546 0.000446 0.102425 -0.002438 0.014558 -0.088905 0.014318 0.010183 -0.124404 -0.004849 -0.058639 -0.059378 0.026342 0.062687 -0.027439 0.016477 0.042328 -0.028273 -0.025280 -0.035334 -0.037237 -0.008265 0.001621 0.009622 0.025872 -0.026314 -0.037074 0.000529 -0.008454 0.013623 -0.003858 0.053611 -0.017344 0.009187 -0.023534 0.006244 0.004265 -0.001129 0.012129 -0.197649 0.038415 0.049790 -0.239626 0.287937 0.214346 -0.006913 -0.018723 0.104731 -0.023830 0.008108 0.102732 -0.005533 -0.006212 0.106146 0.011472 0.006756 0.094610 -0.031090 -0.010672 -0.122817 -0.001712 0.043908 -0.111373 0.000146 0.002624 -0.149772 0.011668 0.061489 -0.163875 0.015448 -0.000670 0.008097 -0.015721 -0.010906 -0.000422 0.029712 0.029629 0.062543 0.027644 -0.011566 0.081970 0.003578 -0.025854 -0.018362 0.010482 0.001731 -0.021622 -0.061210 -0.084167 -0.004984 0.044793 0.055724 0.000853 -0.003049 0.015752 0.080450 -0.012918 -0.005115 0.093958 -0.007674 0.000792 0.076411 -0.022446 -0.012364 0.077347 0.015821 -0.028389 -0.089314 0.030283 0.023055 -0.075090 0.018675 0.003301 -0.075900 -0.028914 -0.021642 -0.143028 -0.005228 0.006531 0.002940 0.006251 0.001011 -0.004381 -0.005750 -0.072069 0.080210 -0.000711 -0.001168 -0.004282 0.021593 -0.048105 -0.000056 0.004427 0.001716 -0.009433 -0.026558 -0.032931 -0.005584 0.007093 0.021121 0.006277 -0.003663 -0.016549 0.096262 -0.002220 0.019523 0.095712 -0.009702 -0.030961 0.072440 -0.009908 0.027109 0.088441 0.072632 -0.021081 -0.163274 -0.001786 -0.005911 -0.086290 -0.002762 0.003374 -0.066056 0.022676 -0.003098 -0.087846 -0.001509 0.034280 0.080951 -0.046194 -0.009147 0.094325 -0.028520 0.009335 0.023523 0.025557 -0.007060 -0.016819 0.309116 -0.171347 -0.176659 0.005469 0.003595 -0.029552 0.008551 -0.012331 -0.001560 0.016469 0.002298 0.006079 -0.000053 -0.016141 0.087429 0.012478 -0.016455 0.085147 -0.011710 -0.000892 0.074952 -0.000133 0.000199 0.101944 -0.002236 0.014876 -0.093240 0.002889 0.013610 -0.118259 -0.002908 -0.058471 -0.059283 0.031623 0.059861 -0.033897 0.008568 0.029468 -0.017161 -0.018991 -0.025832 -0.021044 -0.004215 0.000721 0.010313 0.019310 -0.013958 -0.022035 -0.001452 -0.005803 0.012439 -0.002520 0.010420 -0.025862 0.007956 -0.016527 0.007595 0.007077 -0.002378 -0.000499 -0.226062 0.043237 0.040038 -0.173654 0.269341 0.062767 -0.007021 -0.018757 0.105034 -0.023808 0.008186 0.103179 -0.004990 -0.005985 0.106021 0.011443 0.006314 0.094931 -0.030888 -0.012250 -0.117138 0.000421 0.045058 -0.104843 -0.001182 0.003788 -0.148669 0.008851 0.063638 -0.160249 0.013368 -0.002070 0.007971 -0.008971 -0.008582 -0.001658 0.019982 0.023600 0.042585 0.021377 -0.012604 0.083613 -0.002177 -0.024997 -0.018668 0.018158 -0.007934 -0.017255 -0.049718 -0.068570 -0.008692 0.041623 0.047706 -0.015619 -0.002979 0.015808 0.080864 -0.012753 -0.004844 0.093699 -0.007717 0.000663 0.076807 -0.022182 -0.011998 0.077661 0.015588 -0.034430 -0.083240 0.033440 0.025057 -0.071108 0.018198 0.003657 -0.078052 -0.031345 -0.021094 -0.139663 -0.003286 0.002075 -0.000980 0.007159 -0.000112 -0.000287 -0.002578 -0.052294 0.054159 -0.000584 -0.002922 -0.000732 0.016017 -0.038764 0.004766 0.005098 -0.004094 -0.011176 -0.016653 -0.024240 -0.000972 0.004856 0.010378 0.010298 -0.003868 -0.016357 0.096122 -0.002303 0.019597 0.096051 -0.009949 -0.030866 0.072427 -0.009839 0.027103 0.088485 0.072751 -0.022946 -0.160257 -0.001309 -0.005999 -0.085104 -0.002275 0.003468 -0.067652 0.022315 -0.002917 -0.086465 -0.004340 0.031091 0.088603 -0.042203 -0.009943 0.097446 0.000385 -0.002164 -0.012662 0.023766 -0.003420 -0.019490 0.167346 -0.098192 -0.112343 -0.002196 -0.004510 -0.023032 0.027919 -0.008114 0.005212 0.015000 0.003385 0.002946 0.000018 -0.015904 0.087338 0.012542 -0.016300 0.085298 -0.011654 -0.000526 0.074908 -0.000587 0.000555 0.101930 -0.002193 0.014450 -0.092284 0.005219 0.014028 -0.117011 -0.002508 -0.059186 -0.060949 0.028217 0.062200 -0.028203 0.009017 0.025055 -0.018037 -0.016482 -0.021212 -0.022638 -0.004561 0.000482 0.008930 0.015905 -0.016845 -0.023150 -0.001584 -0.004850 0.011952 -0.000521 0.018387 -0.019136 0.006301 -0.012868 0.005647 0.014314 -0.022572 0.005845 -0.204790 0.038626 0.029618 -0.104600 0.217876 0.027070 -0.007116 -0.019236 0.105418 -0.023589 0.007837 0.103851 -0.003947 -0.006014 0.105583 0.011466 0.005232 0.095351 -0.030261 -0.016162 -0.105050 0.005121 0.046972 -0.091035 -0.004033 0.006021 -0.147268 0.002885 0.067999 -0.152940 0.007365 -0.004501 0.007023 0.004636 -0.002470 -0.005147 -0.000575 0.013100 0.001293 0.007802 -0.014063 0.088868 -0.015261 -0.023483 -0.021925 0.032913 -0.026126 -0.007461 -0.026013 -0.031667 -0.024040 0.032468 0.050861 -0.060927 -0.002704 0.015466 0.081399 -0.012393 -0.004724 0.093026 -0.007700 -0.000038 0.077320 -0.021538 -0.011752 0.077963 0.015228 -0.047740 -0.071172 0.040558 0.029002 -0.063088 0.017333 0.004025 -0.083173 -0.036756 -0.020445 -0.132839 -0.000338 -0.005483 -0.007788 0.010010 -0.003344 0.007801 0.000573 -0.006839 -0.000288 -0.000446 -0.007613 0.007198 0.005543 -0.021584 0.011050 0.006315 -0.016773 -0.015981 0.002884 -0.006470 0.011656 0.001208 -0.011306 0.016516 -0.004272 -0.016321 0.095838 -0.002431 0.019274 0.096590 -0.010205 -0.031119 0.072111 -0.009625 0.026654 0.088262 0.073092 -0.027531 -0.154044 -0.000210 -0.006795 -0.082645 -0.001212 0.003298 -0.071495 0.021740 -0.003027 -0.083732 -0.009488 0.023773 0.106784 -0.032306 -0.013512 0.104939 0.065662 -0.029458 -0.096908 0.020952 0.003621 -0.026250 -0.124388 0.056862 0.021632 -0.017165 -0.023740 -0.012171 0.071868 -0.002824 0.019999 0.013135 0.003905 -0.000451 0.000297 -0.015834 0.086958 0.012740 -0.016439 0.085594 -0.011472 -0.000206 0.074686 -0.001327 0.000712 0.101577 -0.001966 0.013098 -0.090341 0.010525 0.014543 -0.114608 -0.001617 -0.061228 -0.064966 0.020808 0.066924 -0.016324 0.007825 0.015275 -0.022938 -0.010943 -0.010908 -0.026640 -0.005301 0.000028 0.006884 0.008903 -0.022057 -0.024582 -0.000972 -0.003418 0.010444 0.004515 0.037458 -0.008467 0.003757 -0.005638 0.000589 0.032094 -0.070155 0.018322 -0.153904 0.034518 0.021210 0.019252 0.101587 -0.017054 -0.007091 -0.019307 0.105485 -0.023511 0.007790 0.103957 -0.003747 -0.006020 0.105539 0.011511 0.005052 0.095438 -0.030125 -0.016635 -0.103561 0.005750 0.047176 -0.089318 -0.004345 0.006300 -0.147033 0.002215 0.068516 -0.152042 0.006453 -0.004851 0.006757 0.007202 -0.001986 -0.005836 -0.002968 0.012209 -0.003596 0.006286 -0.014313 0.089569 -0.017094 -0.022956 -0.022995 0.034792 -0.028346 -0.005899 -0.022418 -0.027655 -0.024448 0.031859 0.052221 -0.066718 -0.002620 0.015428 0.081485 -0.012293 -0.004710 0.092924 -0.007648 -0.000133 0.077387 -0.021396 -0.011707 0.078014 0.015240 -0.049321 -0.069776 0.041440 0.029461 -0.062176 0.017289 0.004055 -0.083847 -0.037345 -0.020380 -0.132000 0.000004 -0.006940 -0.008417 0.010381 -0.003926 0.008813 0.000908 0.000381 -0.007364 0.000087 -0.008533 0.008016 0.004198 -0.019174 0.012515 0.006539 -0.018388 -0.016553 0.005572 -0.003907 0.012883 0.000955 -0.013921 0.017200 -0.004248 -0.016344 0.095826 -0.002388 0.019223 0.096679 -0.010203 -0.031161 0.072099 -0.009534 0.026577 0.088227 0.073166 -0.028077 -0.153313 -0.000026 -0.006902 -0.082353 -0.001015 0.003279 -0.072003 0.021715 -0.003042 -0.083413 -0.010025 0.022960 0.108822 -0.031035 -0.013912 0.105884 0.075220 -0.032227 -0.108174 0.020825 0.004380 -0.027070 -0.159237 0.075082 0.036525 -0.021457 -0.027419 -0.011239 0.078434 -0.002139 0.021470 0.013098 0.003971 -0.000777 0.000383 -0.015832 0.086912 0.012820 -0.016450 0.085639 -0.011391 -0.000170 0.074654 -0.001375 0.000747 0.101559 -0.001872 0.012934 -0.090115 0.011197 0.014601 -0.114342 -0.001464 -0.061484 -0.065519 0.020017 0.067460 -0.014919 0.007774 0.014345 -0.023521 -0.010224 -0.009766 -0.027220 -0.005556 -0.000494 0.006320 0.008129 -0.022745 -0.024914 -0.001238 -0.003303 0.009844 0.004668 0.040452 -0.006454 0.003736 -0.004986 0.000308 0.034762 -0.076256 0.019880 -0.152526 0.035155 0.019831 0.032791 0.086061 -0.019532 -0.007034 -0.019275 0.105592 -0.023555 0.007877 0.104291 -0.003513 -0.006148 0.105806 0.011573 0.005031 0.096323 -0.025599 -0.015003 -0.095948 0.006806 0.042468 -0.081564 -0.004855 0.005986 -0.128395 0.000164 0.061634 -0.143547 0.005735 -0.006963 0.000609 0.010217 0.001053 -0.005430 -0.006022 0.002287 -0.014195 -0.001528 -0.006028 0.054364 -0.007436 -0.018001 -0.013759 0.026638 -0.027426 0.000896 -0.032147 -0.003903 -0.008332 0.009220 0.053057 -0.056743 -0.002436 0.015293 0.081414 -0.011974 -0.004545 0.093148 -0.007563 -0.000061 0.077147 -0.021198 -0.011532 0.077814 0.015661 -0.052179 -0.067161 0.043550 0.029695 -0.059531 0.015536 0.005326 -0.089728 -0.033423 -0.015868 -0.122462 0.002330 -0.009162 -0.006843 0.010119 -0.009715 0.006701 0.000751 0.016497 -0.025003 0.003024 -0.006806 0.006741 0.001523 -0.014666 0.012295 0.008216 -0.023136 -0.012008 0.014710 0.003199 0.010566 0.002529 -0.017636 0.012581 -0.004253 -0.016289 0.096236 -0.002527 0.019031 0.096905 -0.010212 -0.030918 0.071387 -0.009316 0.026772 0.088060 0.065751 -0.021252 -0.149524 0.001359 -0.005929 -0.085311 0.000991 0.002203 -0.075334 0.021176 -0.002844 -0.083262 -0.000249 0.006740 0.068991 -0.008193 -0.016932 0.063741 0.052754 -0.024734 -0.058555 0.010880 0.003802 -0.015688 -0.108185 0.051765 0.029729 -0.005696 -0.025120 -0.006580 0.033369 -0.005726 0.008098 0.007112 0.003771 -0.003404 0.000672 -0.015648 0.086344 0.013085 -0.016151 0.085756 -0.011456 0.000046 0.074309 -0.001823 0.000871 0.100867 -0.001808 0.011459 -0.092961 0.002935 0.016309 -0.112689 0.001015 -0.062278 -0.068094 0.025134 0.065207 -0.020637 0.003719 0.003697 -0.014319 -0.004719 -0.001235 -0.017293 -0.004125 -0.000717 0.004733 0.003465 -0.013404 -0.013261 0.001192 -0.001942 0.006014 0.009366 0.022814 -0.001247 0.001555 -0.003655 -0.002120 0.021480 -0.043213 0.008451 -0.125706 0.029883 0.013818 0.021240 0.062263 0.001201 -0.007146 -0.019462 0.106159 -0.023792 0.007719 0.105183 -0.003357 -0.006531 0.106512 0.011475 0.004710 0.097839 -0.019784 -0.013110 -0.085579 0.008044 0.035981 -0.070969 -0.005714 0.005321 -0.103286 -0.002778 0.052272 -0.131998 0.007087 -0.008610 -0.008840 0.014843 0.005096 -0.004769 -0.011378 -0.013754 -0.028969 -0.012135 0.001099 0.010581 0.004714 -0.010998 -0.003628 0.016374 -0.026814 0.010529 -0.044184 0.026210 0.015171 -0.020970 0.059037 -0.040332 -0.002387 0.014896 0.081755 -0.011753 -0.004568 0.093782 -0.007615 -0.000245 0.077285 -0.021081 -0.011532 0.078036 0.016028 -0.056131 -0.063399 0.046151 0.029746 -0.055619 0.012897 0.006885 -0.097592 -0.028442 -0.010058 -0.109535 0.005418 -0.013540 -0.003685 0.008006 -0.016977 0.002923 0.002359 0.033903 -0.045725 0.007334 -0.004781 0.004528 -0.000981 -0.009202 0.012436 0.009113 -0.029186 -0.004063 0.025789 0.011595 0.009984 0.004642 -0.022862 0.006868 -0.004425 -0.016467 0.097178 -0.002873 0.018589 0.097600 -0.010436 -0.030857 0.070906 -0.009221 0.026734 0.088306 0.055756 -0.012167 -0.144621 0.003099 -0.004821 -0.089048 0.003604 0.000445 -0.079550 0.020242 -0.002837 -0.082679 0.013858 -0.014356 0.013538 0.029481 -0.017993 -0.003946 0.025529 -0.014331 0.009412 -0.002182 0.002668 -0.001084 -0.042393 0.019702 0.021212 0.015177 -0.022712 0.000602 -0.023218 -0.009980 -0.010772 0.001194 0.004283 -0.005347 0.000849 -0.015632 0.086081 0.013189 -0.016040 0.086338 -0.011698 0.000120 0.074300 -0.002561 0.000807 0.100434 -0.001914 0.009168 -0.096548 -0.008462 0.018244 -0.110568 0.004320 -0.063580 -0.071332 0.032380 0.061660 -0.028744 -0.002101 -0.011875 -0.001986 0.005095 0.012630 -0.002487 -0.002123 -0.001693 0.003196 -0.004674 -0.002811 0.003396 0.002893 -0.000174 0.001329 0.017384 -0.001297 0.004004 -0.001595 -0.001727 -0.004446 0.003366 0.002878 -0.003528 -0.100839 0.039501 -0.013003 0.006521 0.027812 0.030273 -0.007628 -0.019604 0.106764 -0.024482 0.007637 0.106340 -0.003305 -0.007066 0.107350 0.010951 0.004297 0.100332 -0.008981 -0.009502 -0.066370 0.010350 0.024035 -0.051148 -0.007658 0.004298 -0.055227 -0.008922 0.034861 -0.110536 0.009145 -0.011647 -0.028881 0.023534 0.013858 -0.004874 -0.027721 -0.047425 -0.062146 -0.032260 0.018734 -0.078448 0.035953 0.002841 0.018938 -0.007504 -0.025999 0.035032 -0.069821 0.083753 0.058514 -0.081347 0.082212 -0.014095 -0.002555 0.014324 0.081920 -0.011527 -0.004397 0.094461 -0.007978 -0.000383 0.077100 -0.021089 -0.011295 0.077948 0.016554 -0.063609 -0.056689 0.050978 0.030000 -0.048442 0.007193 0.010250 -0.114305 -0.019519 0.001441 -0.085427 0.011414 -0.021300 0.001685 0.006669 -0.034285 -0.003191 0.004810 0.073568 -0.091379 0.016264 0.001346 0.001553 -0.007331 -0.000243 0.009868 0.012635 -0.040915 0.010897 0.050588 0.032301 0.008004 0.007339 -0.032792 -0.005527 -0.005002 -0.016606 0.098526 -0.003819 0.017904 0.098376 -0.011154 -0.030473 0.069443 -0.009270 0.026849 0.088195 0.036553 0.005915 -0.137177 0.006282 -0.002309 -0.097148 0.008646 -0.002984 -0.088708 0.018097 -0.002571 -0.082000 0.043860 -0.052392 -0.098007 0.091520 -0.027078 -0.130542 -0.023672 0.008027 0.133759 -0.027314 0.000633 0.031174 0.076946 -0.036307 0.013435 0.060365 -0.018971 0.016651 -0.129597 -0.014770 -0.046208 -0.010381 0.005342 -0.009795 0.000952 -0.015326 0.084996 0.013146 -0.015579 0.086913 -0.012475 0.000527 0.073772 -0.004333 0.000902 0.099052 -0.002357 0.004782 -0.104334 -0.030849 0.021841 -0.108229 0.010814 -0.065878 -0.078534 0.047607 0.054274 -0.046904 -0.013248 -0.039046 0.021717 0.024888 0.040227 0.030160 0.001901 -0.002106 0.000013 -0.021803 0.023625 0.037154 0.008289 0.002201 -0.012468 0.029847 -0.049629 0.015692 -0.007558 -0.000287 -0.009473 -0.030989 0.090199 -0.029125 -0.040351 0.030158 -0.032345 -0.020290 -0.050391 0.091953 -0.007287 -0.019424 0.106382 -0.024011 0.007783 0.105476 -0.003383 -0.006564 0.106706 0.011335 0.004692 0.098450 -0.016697 -0.011914 -0.079999 0.008627 0.032563 -0.065226 -0.006266 0.005104 -0.089680 -0.004465 0.047344 -0.125746 0.008217 -0.009152 -0.014156 0.017437 0.007305 -0.004468 -0.014272 -0.022419 -0.037064 -0.017255 0.006188 -0.012456 0.013049 -0.007894 0.001680 0.010190 -0.027192 0.017633 -0.050630 0.042790 0.028584 -0.036282 0.064784 -0.032811 -0.002459 0.014818 0.081826 -0.011718 -0.004456 0.093888 -0.007732 -0.000229 0.077334 -0.021111 -0.011417 0.078076 0.016140 -0.058176 -0.061463 0.047499 0.029914 -0.053473 0.011282 0.007931 -0.102388 -0.025819 -0.006747 -0.102620 0.006983 -0.015625 -0.002479 0.007963 -0.022228 0.001019 0.003008 0.042764 -0.056785 0.009418 -0.002714 0.003465 -0.002485 -0.006826 0.011250 0.010804 -0.031771 0.000308 0.032896 0.017515 0.009303 0.004953 -0.025644 0.003744 -0.004590 -0.016435 0.097598 -0.003112 0.018548 0.097776 -0.010653 -0.030697 0.070632 -0.009266 0.026808 0.088260 0.050271 -0.007018 -0.142301 0.004046 -0.003996 -0.091285 0.004923 -0.000504 -0.082094 0.019555 -0.002643 -0.082454 0.022101 -0.024896 -0.017568 0.046612 -0.021031 -0.037658 0.012710 -0.009023 0.042426 -0.009697 0.001836 0.006121 -0.007932 0.004390 0.018481 0.027530 -0.022147 0.004773 -0.052889 -0.011640 -0.020798 -0.001909 0.004550 -0.006756 0.000835 -0.015461 0.085859 0.013129 -0.015913 0.086548 -0.011899 0.000304 0.074229 -0.003032 0.000906 0.100166 -0.002062 0.007929 -0.098686 -0.014801 0.019376 -0.109661 0.006137 -0.064044 -0.073325 0.036471 0.059741 -0.033661 -0.005059 -0.018837 0.004324 0.010506 0.020663 0.004910 -0.001184 -0.001344 0.002590 -0.009128 0.003648 0.012363 0.004291 0.000205 -0.001070 0.020244 -0.014572 0.006275 -0.003101 -0.001616 -0.005449 -0.006313 0.028247 -0.010536 -0.089848 0.033985 -0.020235 -0.000816 0.009577 0.045893 -0.007540 -0.019562 0.106301 -0.024169 0.007647 0.105572 -0.003108 -0.006867 0.106711 0.011291 0.004349 0.098686 -0.014930 -0.010975 -0.081758 0.007467 0.029637 -0.068892 -0.008446 0.004544 -0.083424 -0.002757 0.044598 -0.128736 0.004041 -0.004696 -0.005262 0.006627 0.000986 -0.001350 -0.006763 -0.016439 -0.019346 -0.001575 -0.002637 -0.024007 -0.001860 -0.015223 -0.014004 -0.004164 -0.004448 0.010420 -0.020843 0.037086 0.022055 -0.020583 0.029604 -0.023184 -0.002527 0.014639 0.081522 -0.011500 -0.004528 0.094104 -0.007795 -0.000293 0.077148 -0.021189 -0.011505 0.077958 0.017618 -0.054643 -0.067385 0.047528 0.027810 -0.058306 0.011678 0.007280 -0.101698 -0.023233 -0.005365 -0.103345 0.003954 -0.007890 0.005077 0.000036 -0.014615 0.001654 0.007825 0.029763 -0.039791 0.010377 -0.002389 -0.000822 -0.003275 -0.001555 0.002927 0.006251 -0.018394 0.001436 0.024733 0.005792 0.002591 0.011189 -0.011334 0.000220 -0.004768 -0.016622 0.097914 -0.003365 0.018415 0.097726 -0.010827 -0.030913 0.070545 -0.009319 0.026730 0.088483 0.052227 -0.010353 -0.144328 0.004674 -0.003788 -0.091824 0.005351 -0.000290 -0.082360 0.018548 -0.001947 -0.083379 0.012287 -0.012378 -0.018874 0.025078 -0.010267 -0.035761 -0.001397 -0.006009 0.035211 0.002106 -0.002334 0.006145 -0.017346 0.008450 0.016499 0.012441 -0.012592 0.006786 -0.037679 -0.012156 -0.016005 0.000600 -0.002022 -0.007716 0.000890 -0.015549 0.086070 0.013044 -0.015894 0.086747 -0.012160 0.000461 0.074263 -0.003395 0.000871 0.100316 -0.001709 0.006926 -0.098419 -0.013231 0.019547 -0.106571 0.005548 -0.064175 -0.071930 0.036037 0.058001 -0.033508 -0.003808 -0.015226 0.007995 0.007663 0.009173 0.007636 0.000069 -0.000198 -0.001897 -0.000796 0.000630 0.008214 0.006558 -0.001837 -0.004034 0.008069 -0.004732 0.012174 0.003620 -0.005038 -0.005547 -0.006849 0.023271 -0.007683 -0.063198 0.035291 0.001135 -0.009321 0.006177 0.032903 -0.007865 -0.019362 0.105824 -0.024385 0.007841 0.105302 -0.002745 -0.006899 0.106240 0.011262 0.004307 0.098596 -0.012102 -0.009075 -0.084548 0.005669 0.025365 -0.074539 -0.011691 0.004124 -0.074000 -0.000118 0.040586 -0.133349 -0.002220 0.002046 0.007531 -0.009268 -0.007684 0.003670 0.006559 -0.011066 0.003757 0.022231 -0.013607 -0.039681 -0.024184 -0.023273 -0.036422 -0.020478 0.026813 -0.000319 0.024618 0.028218 0.010893 0.000991 -0.024062 -0.006664 -0.002601 0.014770 0.080671 -0.011198 -0.004228 0.093965 -0.007890 -0.000055 0.076570 -0.021249 -0.011245 0.077407 0.019868 -0.048710 -0.076954 0.047610 0.025017 -0.065890 0.012189 0.006805 -0.101403 -0.019164 -0.002757 -0.104660 -0.000884 0.002995 0.015168 -0.010622 -0.004450 0.002041 0.016475 0.004242 -0.009021 0.013540 -0.001558 -0.007596 -0.005814 0.007871 -0.009019 -0.000971 0.004971 0.004521 0.015114 -0.011245 -0.007343 0.020053 0.011721 -0.004673 -0.004978 -0.016494 0.098003 -0.003666 0.018674 0.097184 -0.011018 -0.030827 0.070085 -0.009396 0.026950 0.088411 0.055003 -0.014717 -0.147791 0.005777 -0.002986 -0.093152 0.006001 0.000377 -0.083192 0.016973 -0.000447 -0.085115 -0.005209 0.008048 -0.019391 -0.004044 0.003471 -0.030455 -0.021408 -0.004781 0.025198 0.020723 -0.008717 0.006056 -0.029595 0.014732 0.014278 -0.011466 0.001700 0.013099 -0.015938 -0.012855 -0.010566 0.005009 -0.010974 -0.008995 0.000965 -0.015236 0.086027 0.012899 -0.015569 0.086652 -0.012470 0.001051 0.073958 -0.003855 0.001187 0.100251 -0.001192 0.005639 -0.098473 -0.011167 0.020274 -0.102248 0.004809 -0.063873 -0.070305 0.035549 0.055697 -0.033975 -0.002331 -0.008112 0.014066 0.006108 -0.004614 0.010970 0.001157 0.001935 -0.008515 0.010601 -0.004429 0.002881 0.010900 -0.004643 -0.007389 -0.010052 0.009327 0.019875 0.013546 -0.010168 -0.006022 -0.007181 0.015911 -0.004270 -0.040449 0.022991 0.033625 -0.021335 0.003061 0.013162 -0.007938 -0.019427 0.105842 -0.024435 0.007773 0.105344 -0.002685 -0.007001 0.106236 0.011249 0.004199 0.098670 -0.011616 -0.008836 -0.084941 0.005326 0.024482 -0.075452 -0.012284 0.003961 -0.072206 0.000354 0.039750 -0.134080 -0.003691 0.003206 0.009552 -0.011681 -0.009173 0.004513 0.009020 -0.009752 0.007219 0.026663 -0.015646 -0.042209 -0.028084 -0.025620 -0.040761 -0.023765 0.031472 -0.002149 0.032740 0.026511 0.007897 0.004512 -0.033365 -0.004640 -0.002616 0.014679 0.080595 -0.011139 -0.004268 0.094015 -0.007909 -0.000123 0.076563 -0.021274 -0.011295 0.077380 0.020282 -0.047736 -0.078582 0.047628 0.024413 -0.067154 0.012256 0.006613 -0.101210 -0.018461 -0.002393 -0.104790 -0.001946 0.005489 0.017575 -0.012556 -0.001738 0.002276 0.017360 -0.000420 -0.004413 0.014409 -0.001644 -0.008584 -0.006309 0.009267 -0.010411 -0.002623 0.008028 0.004482 0.013254 -0.013842 -0.008714 0.021894 0.015482 -0.005251 -0.005026 -0.016570 0.098096 -0.003732 0.018617 0.097171 -0.011051 -0.030905 0.070099 -0.009416 0.026887 0.088479 0.055499 -0.015607 -0.148311 0.005956 -0.002944 -0.093285 0.006137 0.000385 -0.083229 0.016683 -0.000285 -0.085308 -0.007377 0.011791 -0.019851 -0.009523 0.006009 -0.029091 -0.024459 -0.004198 0.023217 0.023984 -0.009905 0.005895 -0.031146 0.016556 0.013127 -0.016264 0.006231 0.014309 -0.011833 -0.012977 -0.008860 0.005547 -0.012946 -0.009008 0.000972 -0.015280 0.086104 0.012874 -0.015612 0.086720 -0.012544 0.001055 0.073982 -0.003964 0.001146 0.100327 -0.001112 0.005310 -0.098373 -0.010808 0.020305 -0.101342 0.004679 -0.063937 -0.069888 0.035459 0.055185 -0.033954 -0.001568 -0.007020 0.014912 0.005807 -0.006885 0.011602 0.001353 0.002181 -0.009443 0.012546 -0.005514 0.002100 0.011989 -0.005488 -0.008317 -0.013281 0.011800 0.021099 0.015311 -0.011273 -0.005996 -0.007238 0.014528 -0.003701 -0.037026 0.023610 0.038295 -0.023367 0.002703 0.009811 -0.008174 -0.019180 0.106108 -0.024521 0.008053 0.105439 -0.002279 -0.006773 0.105839 0.011197 0.004251 0.098497 -0.013743 -0.009618 -0.087374 0.002746 0.026591 -0.077803 -0.011306 0.002587 -0.083299 0.004430 0.041886 -0.140551 -0.008817 -0.007067 -0.002663 0.001793 -0.005866 0.000275 0.010558 -0.000278 0.010785 0.009587 -0.003015 -0.019668 -0.004159 -0.007582 -0.006846 -0.015668 0.008576 0.001010 0.006989 0.013293 -0.003829 0.003146 -0.017733 -0.008714 -0.002578 0.014991 0.080816 -0.010863 -0.004031 0.094114 -0.008079 0.000301 0.076639 -0.021313 -0.011017 0.077608 0.019987 -0.043455 -0.081772 0.046508 0.024937 -0.068641 0.015094 0.004554 -0.098774 -0.018385 -0.004016 -0.105843 0.003155 -0.002485 0.002781 -0.003189 0.006806 -0.000423 0.005888 -0.010646 0.013722 0.005050 0.001920 -0.001698 0.005393 0.010443 -0.010363 -0.002386 0.000295 0.000148 0.000051 -0.009582 -0.007991 0.013903 0.018411 -0.000894 -0.005144 -0.016357 0.098337 -0.003748 0.018862 0.097260 -0.011183 -0.030696 0.070531 -0.009402 0.027145 0.088789 0.060367 -0.020247 -0.146431 0.004424 -0.003460 -0.091377 0.007394 -0.000675 -0.085288 0.018388 -0.000206 -0.083116 -0.006197 0.001834 -0.006411 -0.004240 0.008858 -0.006344 -0.023834 0.005415 0.001474 0.008376 -0.007722 0.002499 -0.006342 0.004950 0.000493 -0.012383 0.001436 0.003218 -0.010111 -0.002621 0.003565 -0.000426 -0.013635 -0.004137 0.001071 -0.014847 0.086638 0.012811 -0.015349 0.087096 -0.012722 0.001649 0.074176 -0.004201 0.001464 0.100729 -0.000847 0.006399 -0.097674 -0.007812 0.020089 -0.098315 0.004782 -0.065348 -0.069552 0.032765 0.055707 -0.027330 0.008064 -0.006788 0.005117 0.008079 -0.009819 0.004118 0.003355 0.000156 -0.007546 0.000088 -0.001722 0.001551 0.012896 -0.006313 -0.002580 -0.007629 0.011160 0.011440 0.004338 0.002547 -0.001635 -0.012116 0.003524 0.005556 -0.031427 0.017250 0.000124 -0.027443 0.001805 0.018388 -0.008326 -0.019112 0.106098 -0.024596 0.008125 0.105341 -0.002110 -0.006703 0.105483 0.011143 0.004216 0.098308 -0.015100 -0.010184 -0.089010 0.001188 0.027798 -0.079370 -0.010698 0.001686 -0.090176 0.006848 0.043091 -0.144640 -0.012131 -0.013688 -0.010839 0.010816 -0.004072 -0.002231 0.011387 0.005994 0.012937 -0.000741 0.003992 -0.008215 0.010711 0.003929 0.013682 -0.011586 -0.005232 0.002231 -0.008935 0.004697 -0.010904 0.002944 -0.008743 -0.009566 -0.002570 0.015101 0.080752 -0.010765 -0.003944 0.094065 -0.008195 0.000458 0.076530 -0.021362 -0.010928 0.077570 0.019773 -0.040989 -0.083884 0.045840 0.025213 -0.069661 0.016753 0.003247 -0.097541 -0.018376 -0.005050 -0.106686 0.006872 -0.005835 -0.006053 0.002726 0.011434 -0.001008 0.000590 -0.014374 0.023191 -0.000155 0.003723 0.002318 0.012150 0.011032 -0.010350 -0.002089 -0.005093 -0.002920 -0.006438 -0.007291 -0.008367 0.008677 0.019687 0.002352 -0.005233 -0.016295 0.098259 -0.003780 0.018917 0.097138 -0.011241 -0.030655 0.070607 -0.009422 0.027216 0.088825 0.063229 -0.023039 -0.145578 0.003446 -0.003838 -0.090455 0.008117 -0.001356 -0.086701 0.019400 -0.000258 -0.082000 -0.005549 -0.003186 0.000569 -0.002626 0.010289 0.008319 -0.024175 0.010466 -0.010175 -0.000387 -0.006137 0.000974 0.007367 -0.001579 -0.005914 -0.009981 -0.000864 -0.001460 -0.009557 0.002765 0.010124 -0.004673 -0.014904 0.000346 0.001092 -0.014673 0.086742 0.012760 -0.015266 0.087156 -0.012851 0.001899 0.074119 -0.004328 0.001578 0.100760 -0.000736 0.007023 -0.097468 -0.006074 0.019903 -0.096745 0.004823 -0.066257 -0.069555 0.031143 0.055956 -0.023633 0.013133 -0.007150 -0.000009 0.010577 -0.011852 0.000262 0.004372 -0.000969 -0.007048 -0.007584 0.000969 0.002415 0.014551 -0.007083 -0.000730 -0.004244 0.010833 0.006495 -0.002645 0.010587 0.000571 -0.014896 -0.002383 0.011618 -0.028418 0.015581 -0.020302 -0.029856 0.001575 0.023038 -0.008408 -0.019050 0.106130 -0.024651 0.008196 0.105349 -0.002073 -0.006645 0.105378 0.011091 0.004258 0.098261 -0.015521 -0.010315 -0.089497 0.000700 0.028209 -0.079837 -0.010546 0.001453 -0.092266 0.007570 0.043517 -0.145891 -0.013181 -0.015676 -0.013291 0.013273 -0.003650 -0.003025 0.011878 0.007609 0.013519 -0.003518 0.007208 -0.005186 0.015822 0.007608 0.020436 -0.010474 -0.009324 0.003031 -0.012934 0.001386 -0.012695 0.002570 -0.005588 -0.010097 -0.002598 0.015178 0.080779 -0.010767 -0.003873 0.094100 -0.008266 0.000559 0.076537 -0.021407 -0.010857 0.077603 0.019684 -0.040174 -0.084504 0.045595 0.025330 -0.069954 0.017236 0.002882 -0.097115 -0.018401 -0.005329 -0.106897 0.008577 -0.007282 -0.009332 0.004328 0.012731 -0.001292 -0.001542 -0.015935 0.026873 -0.001525 0.004872 0.003387 0.014244 0.011273 -0.010343 -0.001982 -0.006718 -0.003723 -0.008806 -0.006614 -0.009002 0.007425 0.019885 0.003529 -0.005281 -0.016244 0.098294 -0.003822 0.018978 0.097140 -0.011297 -0.030611 0.070694 -0.009455 0.027288 0.088888 0.064111 -0.023859 -0.145304 0.003135 -0.003928 -0.090132 0.008329 -0.001535 -0.087116 0.019663 -0.000229 -0.081634 -0.004718 -0.005370 0.003025 -0.002384 0.009816 0.013188 -0.024020 0.012241 -0.014665 -0.003352 -0.005356 0.000773 0.013322 -0.004164 -0.008013 -0.009078 -0.001987 -0.003505 -0.009749 0.004134 0.012501 -0.005730 -0.015115 0.001217 0.001078 -0.014576 0.086829 0.012717 -0.015191 0.087215 -0.012927 0.002031 0.074150 -0.004411 0.001666 0.100830 -0.000710 0.007244 -0.097380 -0.005570 0.019872 -0.096221 0.004816 -0.066498 -0.069514 0.030625 0.056055 -0.022450 0.014631 -0.006050 -0.002410 0.011442 -0.012455 -0.000805 0.004698 -0.001330 -0.006824 -0.009448 0.001514 0.002501 0.015132 -0.007158 -0.000161 -0.003830 0.011012 0.004943 -0.005402 0.013867 0.001970 -0.015471 -0.004373 0.012880 -0.029784 0.013595 -0.026467 -0.030651 0.001593 0.024596 -0.008971 -0.019112 0.106224 -0.025102 0.008286 0.105024 -0.002051 -0.006726 0.105121 0.010788 0.004229 0.098280 -0.016622 -0.012700 -0.092890 0.002785 0.031039 -0.081787 -0.008549 0.000286 -0.096101 0.007474 0.045495 -0.145722 -0.006478 -0.003668 -0.001233 0.005169 -0.003984 -0.002647 0.000843 0.006102 0.003845 -0.007823 0.005991 0.008686 0.000776 0.002697 0.009191 0.003019 -0.001284 -0.004055 -0.006876 -0.000278 -0.011723 -0.005482 -0.008643 0.002680 -0.002965 0.015177 0.080911 -0.010918 -0.003707 0.093779 -0.008584 0.000598 0.076635 -0.021807 -0.010898 0.077560 0.019351 -0.041198 -0.080977 0.047121 0.025708 -0.069356 0.017667 0.001907 -0.094320 -0.019911 -0.006986 -0.105964 0.003601 -0.000133 -0.006620 -0.001196 0.009253 -0.002636 -0.002802 -0.004581 0.010641 -0.000160 0.000059 0.005333 0.003539 0.003208 -0.003831 -0.000394 0.001368 -0.002139 -0.000625 0.005879 -0.002393 -0.000710 0.000285 0.002455 -0.005773 -0.016252 0.098411 -0.004181 0.018996 0.096931 -0.011665 -0.030623 0.070516 -0.009736 0.027369 0.088894 0.064901 -0.023368 -0.145160 0.002605 -0.005880 -0.091297 0.008954 -0.001800 -0.087779 0.020879 -0.000992 -0.083272 -0.002980 -0.002754 0.006249 -0.000346 0.002313 0.011343 -0.008834 0.007567 -0.013073 -0.006178 -0.004395 -0.001236 -0.006426 0.003937 0.005123 0.001560 -0.001622 -0.004288 0.004143 0.002234 0.006671 -0.008012 -0.007171 0.001164 0.000688 -0.014400 0.086713 0.012414 -0.015133 0.087250 -0.013319 0.002248 0.073988 -0.004873 0.001669 0.100669 0.000339 0.007752 -0.100245 -0.006482 0.018196 -0.097653 0.004009 -0.066574 -0.067633 0.026570 0.056586 -0.022560 0.009784 0.002360 -0.006108 0.002156 -0.008129 -0.001714 0.010004 -0.010414 0.001714 -0.004438 0.001172 0.001527 0.005370 -0.002714 0.001301 -0.001275 0.006214 -0.000099 -0.004943 0.009516 0.000795 -0.008410 -0.005970 0.007824 -0.013876 0.012396 -0.012987 -0.016736 -0.006000 0.006047 -0.009008 -0.019275 0.106314 -0.025078 0.008187 0.104942 -0.001810 -0.006913 0.105055 0.010871 0.004080 0.098318 -0.016801 -0.013739 -0.094117 0.003802 0.031936 -0.082464 -0.007617 -0.000284 -0.097383 0.007627 0.046069 -0.145549 -0.002912 0.000913 0.004419 0.002633 -0.004845 -0.002736 -0.003250 0.005579 0.000777 -0.008781 0.005563 0.013327 -0.004413 0.000259 0.004954 0.006955 0.001906 -0.006468 -0.004690 -0.000399 -0.011922 -0.008542 -0.010701 0.007562 -0.002904 0.015046 0.081039 -0.010765 -0.003783 0.093673 -0.008512 0.000485 0.076753 -0.021761 -0.011057 0.077594 0.019428 -0.041744 -0.079543 0.047904 0.025695 -0.069070 0.018034 0.001411 -0.093219 -0.020269 -0.007735 -0.105506 0.002877 0.002344 -0.005797 -0.003678 0.007890 -0.002842 -0.003420 -0.000464 0.004636 0.001400 -0.001690 0.006446 -0.000291 0.000352 -0.001287 0.000087 0.005206 -0.002237 0.003217 0.009641 -0.000991 -0.003611 -0.007393 0.001999 -0.005754 -0.016409 0.098477 -0.004122 0.018862 0.096917 -0.011616 -0.030773 0.070513 -0.009643 0.027267 0.088952 0.065356 -0.023298 -0.145028 0.002630 -0.006759 -0.091675 0.009389 -0.002033 -0.087956 0.021531 -0.001422 -0.083857 -0.002226 -0.001372 0.008004 0.000580 -0.000086 0.010753 -0.003435 0.005631 -0.013498 -0.007499 -0.004758 -0.002242 -0.013467 0.006833 0.009831 0.006203 -0.001602 -0.004378 0.010231 0.001653 0.004425 -0.008428 -0.004799 0.000454 0.000744 -0.014466 0.086686 0.012498 -0.015240 0.087323 -0.013276 0.002205 0.073949 -0.004866 0.001543 0.100660 0.000943 0.007791 -0.101270 -0.006665 0.017428 -0.098113 0.003896 -0.066728 -0.066856 0.025165 0.056642 -0.022634 0.008582 0.004547 -0.007616 -0.000799 -0.006714 -0.001788 0.012731 -0.014350 0.005504 -0.002443 0.000664 0.000574 0.001747 -0.001349 0.001741 -0.000335 0.005155 -0.001828 -0.004849 0.007596 0.000287 -0.005619 -0.006645 0.006774 -0.022275 0.021196 -0.008785 -0.011629 -0.008756 -0.000981 -0.009256 -0.019386 0.106392 -0.025227 0.008209 0.104705 -0.001584 -0.007038 0.104833 0.010835 0.004000 0.098294 -0.017450 -0.015648 -0.096797 0.005654 0.034096 -0.084042 -0.005832 -0.001247 -0.100271 0.007707 0.047535 -0.145345 0.000843 0.009028 0.013400 -0.003319 -0.007079 -0.002402 -0.012046 0.004375 -0.006012 -0.011813 0.006493 0.023114 -0.015593 -0.002956 -0.004391 0.014879 0.008055 -0.013167 0.000724 -0.001752 -0.011592 -0.015344 -0.013545 0.019758 -0.002991 0.015001 0.081154 -0.010678 -0.003713 0.093447 -0.008551 0.000473 0.076821 -0.021873 -0.011146 0.077571 0.019374 -0.042649 -0.076771 0.049320 0.025929 -0.068618 0.018546 0.000638 -0.091095 -0.021258 -0.009052 -0.104758 -0.000404 0.005739 -0.003337 -0.007810 0.004815 -0.004018 -0.004537 0.007656 -0.007397 0.004275 -0.004954 0.008467 -0.007997 -0.005798 0.004694 0.001842 0.010993 -0.001862 0.009774 0.017929 0.002602 -0.010273 -0.023523 0.001063 -0.005915 -0.016486 0.098557 -0.004183 0.018818 0.096766 -0.011697 -0.030856 0.070414 -0.009654 0.027274 0.088986 0.066155 -0.022933 -0.144941 0.002463 -0.008319 -0.092628 0.010077 -0.002274 -0.088446 0.022643 -0.002073 -0.085185 -0.000867 0.000311 0.009915 0.002121 -0.006170 0.009847 0.008578 0.000726 -0.012032 -0.010646 -0.003529 -0.003467 -0.028470 0.011631 0.018923 0.013505 -0.000198 -0.004916 0.018899 -0.000644 0.001436 -0.009473 0.003856 -0.001796 0.000667 -0.014395 0.086621 0.012467 -0.015262 0.087348 -0.013385 0.002318 0.073848 -0.005017 0.001492 0.100572 0.001980 0.008122 -0.103540 -0.007168 0.016049 -0.099298 0.003482 -0.066818 -0.065391 0.022274 0.056947 -0.022943 0.006404 0.010371 -0.010635 -0.007967 -0.002516 -0.002643 0.017283 -0.021499 0.011157 0.001518 0.000759 -0.000744 -0.005219 0.002627 0.003225 0.001265 0.000103 -0.004712 -0.004721 0.004329 -0.001270 0.000865 -0.006094 0.004019 -0.016672 0.026957 0.003231 -0.001529 -0.014104 -0.014718 -0.009110 -0.019282 0.106365 -0.025121 0.008228 0.104876 -0.001808 -0.006862 0.104984 0.010840 0.004082 0.098335 -0.017324 -0.014868 -0.095769 0.004893 0.033400 -0.083427 -0.006500 -0.000825 -0.099139 0.007624 0.047044 -0.145371 -0.001348 0.005257 0.009225 0.000411 -0.006140 -0.002753 -0.007694 0.004979 -0.002873 -0.010013 0.006432 0.017994 -0.010746 -0.002046 -0.000842 0.010516 0.005530 -0.009588 -0.002039 -0.000758 -0.011252 -0.011493 -0.011864 0.013524 -0.002946 0.015084 0.081014 -0.010775 -0.003700 0.093721 -0.008518 0.000535 0.076748 -0.021797 -0.011039 0.077579 0.019374 -0.042390 -0.077766 0.048854 0.025983 -0.068712 0.018312 0.001019 -0.091899 -0.020880 -0.008446 -0.105071 0.001257 0.003976 -0.004697 -0.006099 0.006001 -0.003734 -0.003450 0.003661 -0.001832 0.003310 -0.003464 0.007581 -0.003442 -0.003488 0.001411 0.001390 0.008053 -0.001978 0.007073 0.014184 0.001005 -0.007994 -0.016568 0.001626 -0.005844 -0.016345 0.098582 -0.004140 0.018891 0.096800 -0.011574 -0.030776 0.070475 -0.009656 0.027333 0.088993 0.065893 -0.023053 -0.144980 0.002476 -0.007612 -0.092243 0.009763 -0.002027 -0.088159 0.022150 -0.001727 -0.084615 -0.001853 -0.000682 0.009390 0.001588 -0.003349 0.010259 0.003820 0.003038 -0.013226 -0.009702 -0.004147 -0.002340 -0.021741 0.009268 0.014861 0.010168 -0.000395 -0.004788 0.014826 0.000342 0.002954 -0.008856 -0.001006 -0.001177 0.000717 -0.014386 0.086727 0.012475 -0.015242 0.087382 -0.013320 0.002256 0.073985 -0.004874 0.001546 0.100573 0.001552 0.008173 -0.102679 -0.006865 0.016639 -0.098882 0.003628 -0.066686 -0.065870 0.023418 0.056894 -0.022872 0.007667 0.007693 -0.009024 -0.004898 -0.004118 -0.002355 0.015392 -0.018304 0.008476 -0.000465 0.000955 0.000406 -0.002175 0.001037 0.002832 0.000255 0.003204 -0.003538 -0.004760 0.005510 -0.000545 -0.002676 -0.006434 0.005613 -0.020819 0.023364 -0.002149 -0.006323 -0.011559 -0.008152 -0.009315 -0.019436 0.106231 -0.025188 0.008042 0.104666 -0.001398 -0.007223 0.104963 0.010883 0.003984 0.098373 -0.015395 -0.015458 -0.097168 0.007015 0.032753 -0.084071 -0.007055 -0.000889 -0.093496 0.006957 0.045853 -0.142962 0.003243 0.005806 0.003327 -0.007884 -0.003358 -0.000085 -0.008639 -0.003538 -0.004523 -0.002493 0.001342 0.009374 -0.003899 0.000190 0.000342 0.004096 0.007934 -0.008473 -0.013019 -0.011138 -0.005375 -0.003737 0.009234 0.013307 -0.002861 0.014836 0.080942 -0.010550 -0.003730 0.093669 -0.008555 0.000400 0.076678 -0.021850 -0.011280 0.077358 0.019960 -0.042077 -0.074237 0.048067 0.025123 -0.065511 0.017839 0.002171 -0.093490 -0.020875 -0.009012 -0.102249 -0.003917 0.006353 -0.000245 -0.001915 0.000014 0.002547 0.000951 0.005909 -0.004595 -0.002036 -0.001057 -0.001563 -0.004451 -0.002398 0.003602 -0.003263 0.003788 -0.000579 0.001923 0.001136 0.001898 -0.004600 -0.010343 0.001155 -0.005840 -0.016605 0.098593 -0.004193 0.018631 0.096519 -0.011771 -0.030911 0.070142 -0.009626 0.027269 0.088923 0.064466 -0.020635 -0.147577 0.004917 -0.008760 -0.092832 0.009817 -0.003198 -0.088289 0.023502 -0.002960 -0.087569 -0.000815 0.003071 -0.000683 -0.004233 -0.001957 0.002215 0.005736 -0.003183 0.010922 -0.002982 0.000292 -0.003439 0.006265 -0.004192 0.004555 0.000365 0.002950 -0.003071 -0.004016 -0.005263 -0.001872 0.000935 0.006653 0.000987 0.000740 -0.014471 0.086420 0.012441 -0.015211 0.087353 -0.013476 0.002275 0.073758 -0.005048 0.001495 0.100217 0.002070 0.005445 -0.100824 -0.009845 0.015375 -0.100207 0.002747 -0.066379 -0.066830 0.023899 0.057766 -0.025184 0.000446 0.003579 -0.003062 -0.003274 0.002543 -0.000695 0.007514 -0.010274 0.006026 0.001248 0.000477 -0.002148 -0.003511 0.002143 0.000924 -0.002584 -0.004849 -0.002852 -0.003215 -0.001379 -0.000048 0.004457 0.005777 -0.003179 -0.016749 0.032375 0.003562 -0.008426 -0.011820 -0.000567 -0.009354 -0.019536 0.106159 -0.025212 0.007918 0.104549 -0.001331 -0.007364 0.104884 0.010899 0.003865 0.098308 -0.014529 -0.015775 -0.097901 0.007984 0.032437 -0.084388 -0.007258 -0.000998 -0.090891 0.006609 0.045263 -0.141793 0.004538 0.006424 0.000970 -0.010671 -0.002527 0.000617 -0.008850 -0.007224 -0.005257 0.000811 -0.000311 0.005587 -0.001132 0.000235 0.000313 0.001166 0.009145 -0.008139 -0.017431 -0.014152 -0.004133 -0.000063 0.020768 0.013949 -0.002843 0.014699 0.080839 -0.010499 -0.003818 0.093608 -0.008523 0.000264 0.076585 -0.021833 -0.011401 0.077216 0.020248 -0.042082 -0.072472 0.047770 0.024692 -0.063921 0.017597 0.002690 -0.094220 -0.020862 -0.009297 -0.100873 -0.004788 0.007980 0.000992 -0.001162 -0.001618 0.004548 0.003146 0.006527 -0.005470 -0.004149 -0.000334 -0.005712 -0.004273 -0.002095 0.003468 -0.005271 0.001758 -0.000091 0.000364 -0.005669 0.002044 -0.003219 -0.008218 0.001376 -0.005825 -0.016733 0.098598 -0.004163 0.018512 0.096319 -0.011764 -0.031023 0.070006 -0.009615 0.027155 0.088899 0.063886 -0.019557 -0.148867 0.006049 -0.009362 -0.093097 0.009822 -0.003728 -0.088281 0.024107 -0.003563 -0.088969 -0.000763 0.004068 -0.004116 -0.006647 -0.000927 -0.001280 0.005519 -0.005370 0.021778 -0.000065 0.001947 -0.004225 0.018656 -0.010249 0.000924 -0.003422 0.004450 -0.002747 -0.013135 -0.007313 -0.004239 0.006188 0.008742 0.002359 0.000755 -0.014572 0.086299 0.012430 -0.015320 0.087305 -0.013484 0.002171 0.073637 -0.005036 0.001401 0.100021 0.002339 0.004223 -0.099967 -0.011172 0.014689 -0.100923 0.002310 -0.066256 -0.067236 0.024136 0.058132 -0.026337 -0.001961 0.002261 -0.001114 -0.002450 0.004692 0.000208 0.004370 -0.008074 0.004472 0.001249 0.000245 -0.002756 -0.003611 0.002370 0.000314 -0.002017 -0.008269 -0.002468 -0.002290 -0.004600 0.000185 0.006447 0.010769 -0.005801 -0.019410 0.038878 0.007754 -0.009314 -0.012037 0.002593 -0.009733 -0.019488 0.106295 -0.025474 0.007952 0.104610 -0.001271 -0.007451 0.105096 0.010699 0.003965 0.098586 -0.013144 -0.016164 -0.099017 0.009644 0.032178 -0.084784 -0.007907 -0.000882 -0.085956 0.005767 0.044509 -0.139439 0.008422 0.006882 -0.003878 -0.016681 0.000640 0.001996 -0.009561 -0.014493 -0.006989 0.008209 -0.003982 -0.002203 0.005140 0.000600 0.001236 -0.004268 0.010623 -0.005894 -0.026612 -0.021990 -0.001585 0.005362 0.040045 0.013975 -0.003001 0.014695 0.080978 -0.010569 -0.003669 0.093860 -0.008755 0.000338 0.076751 -0.022090 -0.011405 0.077283 0.020525 -0.041734 -0.069016 0.046949 0.024183 -0.060872 0.016920 0.003909 -0.095335 -0.021127 -0.009603 -0.098202 -0.007194 0.009908 0.004840 0.000628 -0.005817 0.008434 0.006975 0.008436 -0.007421 -0.008371 0.000457 -0.014025 -0.006303 -0.000764 0.004584 -0.009996 -0.002079 0.002000 -0.003795 -0.017412 0.003573 -0.000887 -0.002097 0.000561 -0.006059 -0.016733 0.098874 -0.004430 0.018502 0.096289 -0.012120 -0.030957 0.069965 -0.009825 0.027291 0.089077 0.062498 -0.017244 -0.150967 0.007934 -0.010198 -0.093448 0.009631 -0.004502 -0.088112 0.025055 -0.004436 -0.091349 -0.000353 0.006461 -0.011774 -0.010923 0.000783 -0.007119 0.008748 -0.011592 0.041546 0.004529 0.006127 -0.005187 0.042769 -0.022742 -0.007833 -0.011207 0.007177 0.000232 -0.029648 -0.012043 -0.008644 0.015052 0.013544 0.004119 0.000539 -0.014449 0.086331 0.012167 -0.015139 0.087538 -0.013822 0.002356 0.073705 -0.005363 0.001534 0.099969 0.002592 0.002147 -0.098236 -0.013954 0.013694 -0.102022 0.001298 -0.065758 -0.067782 0.024284 0.059085 -0.028193 -0.006847 -0.000887 0.003864 -0.000874 0.009596 0.002307 -0.002504 -0.000551 0.001795 0.001300 0.000489 -0.004335 -0.004984 0.004128 -0.002035 -0.005471 -0.013422 -0.002683 -0.000774 -0.009708 0.000268 0.012981 0.021242 -0.014538 -0.009470 0.037956 0.008908 -0.011253 -0.012043 0.009430 -0.009445 -0.019537 0.106149 -0.025296 0.007939 0.104480 -0.001402 -0.007361 0.104851 0.010830 0.003881 0.098292 -0.014038 -0.015901 -0.098327 0.008553 0.032334 -0.084547 -0.007477 -0.000969 -0.089103 0.006249 0.044961 -0.140907 0.005636 0.006085 -0.000564 -0.012520 -0.002067 0.001194 -0.009077 -0.009973 -0.006319 0.003314 -0.001301 0.002888 0.001104 0.000039 0.000285 -0.000652 0.009969 -0.007556 -0.020762 -0.017270 -0.003316 0.002063 0.027004 0.014159 -0.002922 0.014720 0.080809 -0.010567 -0.003807 0.093622 -0.008581 0.000271 0.076593 -0.021904 -0.011387 0.077200 0.020380 -0.042046 -0.071124 0.047504 0.024486 -0.062765 0.017270 0.003175 -0.094686 -0.020962 -0.009367 -0.099879 -0.005357 0.008787 0.002313 -0.000798 -0.002523 0.005902 0.004617 0.007093 -0.005887 -0.005372 0.000288 -0.007982 -0.004745 -0.001822 0.003625 -0.006706 -0.000002 0.000593 -0.000592 -0.009380 0.002127 -0.002452 -0.006848 0.001469 -0.005913 -0.016713 0.098655 -0.004254 0.018550 0.096232 -0.011851 -0.031013 0.069942 -0.009711 0.027172 0.088861 0.063414 -0.018749 -0.149687 0.006665 -0.009636 -0.093186 0.009714 -0.003982 -0.088181 0.024379 -0.003840 -0.089811 -0.000537 0.004652 -0.006498 -0.008202 -0.000135 -0.002802 0.005688 -0.007050 0.027981 0.001620 0.003505 -0.004779 0.025799 -0.013774 -0.000830 -0.005707 0.005467 -0.002513 -0.018389 -0.008928 -0.005473 0.009999 0.010519 0.003522 0.000644 -0.014525 0.086287 0.012322 -0.015318 0.087309 -0.013559 0.002220 0.073580 -0.005099 0.001424 0.099950 0.002403 0.003558 -0.099320 -0.012116 0.014319 -0.101379 0.001937 -0.066051 -0.067460 0.024222 0.058435 -0.027043 -0.003258 0.001229 0.000286 -0.001669 0.006021 0.001177 0.002423 -0.004700 0.003107 0.001126 0.000125 -0.003073 -0.004191 0.002640 -0.000530 -0.003307 -0.010609 -0.003328 -0.001843 -0.006421 0.000246 0.007869 0.014368 -0.008510 -0.016522 0.039834 0.008979 -0.009991 -0.012063 0.004700 -0.009870 -0.019422 0.106085 -0.025505 0.007950 0.104818 -0.001187 -0.007354 0.105000 0.010629 0.003940 0.098417 -0.013336 -0.015725 -0.097948 0.009064 0.032085 -0.084014 -0.008464 -0.000419 -0.086858 0.006109 0.044406 -0.140053 0.004511 0.004087 -0.003564 -0.009786 0.001463 0.001059 -0.006583 -0.010654 -0.005185 0.004271 -0.002696 -0.001711 0.004417 0.001535 0.003557 -0.002912 0.004613 -0.002821 -0.012526 -0.011507 0.000850 0.003389 0.019382 0.013824 -0.003014 0.014809 0.080918 -0.010526 -0.003643 0.093886 -0.008874 0.000395 0.076688 -0.022154 -0.011283 0.077132 0.019531 -0.041330 -0.070203 0.046591 0.024450 -0.062495 0.017293 0.003989 -0.095565 -0.021213 -0.009654 -0.098948 -0.005012 0.005884 0.002783 0.001748 -0.005376 0.004639 0.002809 0.005034 -0.005657 -0.007779 0.001079 -0.009250 -0.003685 0.001998 0.004009 -0.005765 -0.003233 0.001630 -0.004218 -0.011483 0.003124 -0.003639 -0.001485 0.000096 -0.006124 -0.016691 0.098935 -0.004506 0.018582 0.096286 -0.012251 -0.030891 0.070079 -0.009896 0.027232 0.089041 0.061864 -0.019147 -0.148612 0.007950 -0.009556 -0.093612 0.009641 -0.004509 -0.089406 0.025312 -0.004543 -0.091198 -0.000255 0.004585 -0.008028 -0.009050 0.000428 -0.004394 0.006362 -0.008015 0.023082 0.001921 0.005565 -0.001652 0.016608 -0.009924 -0.001239 -0.007667 0.004732 0.000013 -0.016126 -0.003738 -0.004988 0.009073 0.008196 0.004227 0.000466 -0.014385 0.086435 0.012022 -0.015026 0.087574 -0.013843 0.002504 0.073696 -0.005447 0.001637 0.100049 0.002206 0.001742 -0.097484 -0.012315 0.014742 -0.099970 0.001633 -0.065446 -0.068015 0.023021 0.059401 -0.025893 -0.005216 -0.000684 0.003247 -0.000195 0.006961 0.000941 -0.005363 0.003775 -0.000148 -0.000659 0.000584 -0.002805 -0.004625 0.002472 -0.002219 -0.003201 -0.009261 -0.002969 -0.000335 -0.004303 0.000932 0.008046 0.008667 -0.008603 -0.005725 0.034224 0.004623 -0.007634 -0.011746 -0.002164 -0.009937 -0.019445 0.106033 -0.025472 0.007885 0.104971 -0.000960 -0.007426 0.105048 0.010662 0.003883 0.098433 -0.012616 -0.015693 -0.097694 0.009623 0.031785 -0.083635 -0.008973 -0.000132 -0.085184 0.006140 0.043869 -0.139367 0.003559 0.002401 -0.005430 -0.008192 0.005442 0.001016 -0.003401 -0.011380 -0.004417 0.005605 -0.003702 -0.004510 0.006175 0.002110 0.005550 -0.005145 0.001361 -0.000675 -0.007316 -0.009219 0.003384 0.005517 0.014771 0.014111 -0.002938 0.014782 0.080942 -0.010383 -0.003639 0.094004 -0.008867 0.000378 0.076730 -0.022136 -0.011294 0.077077 0.019146 -0.040957 -0.069413 0.046123 0.024288 -0.062227 0.017447 0.004517 -0.096229 -0.021211 -0.009925 -0.098212 -0.004559 0.004008 0.002930 0.003559 -0.006852 0.003914 0.002943 0.003937 -0.005332 -0.009383 0.001899 -0.010697 -0.002969 0.004392 0.003917 -0.004852 -0.005504 0.002580 -0.006394 -0.013533 0.002988 -0.004526 0.002196 -0.000467 -0.006100 -0.016751 0.099093 -0.004495 0.018543 0.096271 -0.012281 -0.030912 0.070120 -0.009856 0.027160 0.089103 0.060937 -0.019505 -0.147935 0.009059 -0.009596 -0.093880 0.009750 -0.004987 -0.090260 0.026128 -0.005138 -0.092216 0.000017 0.004456 -0.009013 -0.009119 0.001590 -0.005436 0.005531 -0.007589 0.020161 0.003606 0.007688 0.001365 0.009212 -0.007377 -0.001317 -0.009029 0.004324 0.001289 -0.014163 0.000179 -0.004051 0.008082 0.006703 0.004896 0.000495 -0.014378 0.086498 0.011995 -0.014965 0.087704 -0.013808 0.002572 0.073697 -0.005461 0.001659 0.100077 0.002240 0.000380 -0.096141 -0.012278 0.014923 -0.099025 0.001586 -0.065083 -0.068431 0.022385 0.059978 -0.025128 -0.007424 -0.003223 0.005326 0.001126 0.006997 0.000688 -0.010784 0.010268 -0.002168 -0.001764 0.000762 -0.002592 -0.004618 0.001672 -0.002865 -0.002797 -0.008333 -0.002724 0.000893 -0.003023 0.001425 0.008209 0.005550 -0.008768 -0.007514 0.031953 0.000859 -0.006030 -0.011698 -0.006758 -0.010386 -0.019425 0.105851 -0.025716 0.007817 0.105202 -0.000813 -0.007492 0.105029 0.010432 0.003850 0.098391 -0.011479 -0.015536 -0.097225 0.010417 0.031236 -0.082910 -0.010316 0.000509 -0.081890 0.005880 0.042864 -0.138048 0.001879 -0.000794 -0.009398 -0.004634 0.009526 0.001407 -0.000506 -0.013282 -0.003446 0.007378 -0.005546 -0.010326 0.011381 0.005470 0.010673 -0.007982 -0.004164 0.004762 0.003788 -0.001246 0.009444 0.009146 0.005335 0.013750 -0.003080 0.014803 0.080893 -0.010365 -0.003569 0.094123 -0.009161 0.000405 0.076725 -0.022407 -0.011251 0.076880 0.018065 -0.040140 -0.067880 0.044869 0.024035 -0.061755 0.017427 0.005650 -0.097632 -0.021518 -0.010389 -0.096777 -0.003497 0.000909 0.002599 0.006530 -0.009990 0.002781 0.000624 0.001648 -0.004342 -0.013166 0.002835 -0.012502 -0.001869 0.009302 0.003732 -0.004140 -0.009706 0.003554 -0.010360 -0.016562 0.002837 -0.006449 0.007708 -0.001517 -0.006357 -0.016791 0.099286 -0.004775 0.018530 0.096147 -0.012664 -0.030866 0.070103 -0.010089 0.027095 0.089123 0.058777 -0.020160 -0.146630 0.010987 -0.009611 -0.094512 0.009672 -0.005852 -0.092023 0.027463 -0.006273 -0.094314 0.001831 0.003590 -0.013019 -0.008499 0.002679 -0.007667 0.006221 -0.006860 0.014007 0.003872 0.009726 0.005464 -0.004094 -0.002312 -0.002662 -0.010653 0.004059 0.003191 -0.010567 0.008260 -0.002978 0.007059 0.003117 0.006268 0.000256 -0.014302 0.086516 0.011630 -0.014784 0.087865 -0.014074 0.002792 0.073609 -0.005796 0.001758 0.100018 0.001989 -0.002281 -0.093509 -0.012496 0.015355 -0.097175 0.001192 -0.064288 -0.069353 0.020803 0.061203 -0.023649 -0.009449 -0.005891 0.008553 0.002924 0.008845 0.000640 -0.023534 0.022805 -0.005688 -0.004096 0.001517 -0.002716 -0.005234 0.000292 -0.003771 -0.002762 -0.006773 -0.002325 0.004300 -0.000381 0.003641 0.008715 -0.000889 -0.010231 0.000301 0.023200 0.001054 -0.002824 -0.011319 -0.016245 -0.010470 -0.019297 0.105733 -0.025707 0.007918 0.105398 -0.000571 -0.007334 0.104892 0.010457 0.003944 0.098169 -0.012214 -0.015550 -0.096340 0.009907 0.031653 -0.082954 -0.010312 0.001191 -0.085259 0.006654 0.043351 -0.138850 0.000089 0.001296 -0.000385 -0.000717 0.007435 0.002003 0.000006 -0.003315 -0.000242 0.000415 -0.002872 -0.004380 0.002734 0.000848 0.001294 -0.001161 -0.000962 0.000949 0.004569 -0.000767 0.003009 0.001346 -0.001223 0.004859 -0.003013 0.014979 0.080917 -0.010214 -0.003452 0.094032 -0.009115 0.000515 0.076752 -0.022413 -0.011086 0.076702 0.016847 -0.040241 -0.071000 0.045130 0.024685 -0.065178 0.018111 0.005162 -0.096462 -0.021941 -0.010510 -0.098925 -0.003826 -0.003919 0.002757 0.002811 -0.006799 -0.001444 -0.003635 -0.002162 -0.000815 -0.005774 -0.000974 -0.002919 -0.001581 0.001885 0.003017 0.002023 -0.001523 0.002198 -0.008486 -0.004675 0.002300 -0.008246 0.003569 -0.002886 -0.006391 -0.016699 0.099370 -0.004810 0.018752 0.096156 -0.012740 -0.030735 0.070301 -0.010065 0.027088 0.089210 0.058781 -0.021713 -0.142728 0.010179 -0.009411 -0.094922 0.009372 -0.005126 -0.092642 0.027029 -0.005704 -0.093535 0.002728 0.001175 -0.004901 -0.002681 -0.000765 -0.002653 0.001051 -0.000401 -0.000406 0.001583 0.006123 0.004887 -0.005498 -0.002400 -0.005265 -0.003785 -0.000628 0.003518 0.000982 0.009455 0.000436 0.000053 0.003958 0.003424 0.000175 -0.014133 0.086611 0.011586 -0.014532 0.087860 -0.013998 0.003033 0.073567 -0.005821 0.001961 0.100112 0.001948 -0.001763 -0.095306 -0.010090 0.016350 -0.096214 0.001180 -0.063801 -0.069238 0.018873 0.061117 -0.022097 -0.009894 -0.000739 0.004460 -0.004084 0.005300 -0.000710 -0.015225 0.016010 -0.003237 -0.001615 0.001768 -0.001531 -0.006462 0.000636 -0.001568 -0.001050 -0.001934 -0.002021 0.001661 0.001336 -0.000186 0.001590 -0.002583 -0.003068 0.006445 0.015933 0.007356 -0.002710 -0.008696 -0.011984 -0.010431 -0.019399 0.105742 -0.025609 0.007816 0.105541 -0.000386 -0.007430 0.104932 0.010542 0.003838 0.098168 -0.012540 -0.015779 -0.095810 0.009748 0.031778 -0.082975 -0.010182 0.001384 -0.087187 0.007177 0.043514 -0.139312 -0.000702 0.002216 0.004187 0.001280 0.006588 0.002222 0.000213 0.001409 0.001409 -0.003269 -0.001725 -0.001280 -0.001559 -0.002023 -0.002535 0.002125 0.000790 -0.000645 0.004969 -0.000683 0.000387 -0.001497 -0.004828 -0.000088 -0.002896 0.014913 0.081001 -0.010067 -0.003548 0.094112 -0.009033 0.000435 0.076873 -0.022340 -0.011175 0.076728 0.016282 -0.040455 -0.072712 0.045374 0.024876 -0.067047 0.018570 0.004695 -0.095719 -0.022077 -0.010774 -0.100157 -0.003979 -0.005632 0.002871 0.001166 -0.005718 -0.003716 -0.006631 -0.004494 0.001077 -0.002531 -0.003247 0.001880 -0.001707 -0.002389 0.002923 0.006784 0.003155 0.001762 -0.007446 0.000869 0.002178 -0.008915 0.000656 -0.003668 -0.006345 -0.016806 0.099510 -0.004754 0.018682 0.096224 -0.012686 -0.030831 0.070435 -0.009986 0.026966 0.089304 0.058871 -0.022696 -0.140586 0.009780 -0.009481 -0.095173 0.009269 -0.004866 -0.092996 0.026869 -0.005540 -0.093022 0.002884 -0.000122 -0.001206 0.000684 -0.002186 -0.000284 -0.000874 0.003367 -0.008568 0.000269 0.004640 0.005037 -0.005385 -0.002477 -0.006862 0.000172 -0.003399 0.004122 0.006608 0.010053 0.001714 -0.003855 0.004048 0.001737 0.000219 -0.014191 0.086738 0.011633 -0.014560 0.087977 -0.013902 0.002997 0.073614 -0.005756 0.001888 0.100214 0.001994 -0.001587 -0.096378 -0.008746 0.016705 -0.095699 0.001282 -0.063685 -0.069116 0.017894 0.060877 -0.021274 -0.010653 0.003710 0.001690 -0.007209 0.003366 -0.001942 -0.011846 0.013711 -0.001924 0.000533 0.001087 -0.000209 -0.007011 0.001371 -0.000589 -0.000434 -0.000094 -0.002055 0.000868 0.002188 -0.000997 -0.002099 -0.003618 -0.000119 0.003867 0.018366 0.009324 -0.002588 -0.007514 -0.009784 -0.010416 -0.019354 0.105583 -0.025457 0.007817 0.105745 0.000042 -0.007375 0.104800 0.010692 0.003839 0.097965 -0.013210 -0.015945 -0.094832 0.009361 0.032183 -0.082967 -0.010019 0.001991 -0.090693 0.008110 0.043987 -0.140063 -0.003261 0.003982 0.013662 0.005249 0.005108 0.002638 0.000807 0.012318 0.005325 -0.009646 0.000474 0.004768 -0.009503 -0.005917 -0.011716 0.009876 0.004038 -0.004343 0.006728 -0.000248 -0.005944 -0.009892 -0.010032 -0.007879 -0.002678 0.015003 0.081006 -0.009751 -0.003503 0.094029 -0.008886 0.000463 0.076893 -0.022222 -0.011094 0.076540 0.015167 -0.040657 -0.075897 0.045801 0.025491 -0.070468 0.019405 0.004047 -0.094333 -0.022401 -0.011007 -0.102348 -0.003460 -0.009327 0.003505 -0.002157 -0.003179 -0.008232 -0.010385 -0.008309 0.004654 0.003948 -0.007012 0.011057 -0.002528 -0.010690 0.002766 0.014205 0.012653 0.000554 -0.005979 0.012150 0.001429 -0.010467 -0.003836 -0.005207 -0.006240 -0.016807 0.099592 -0.004678 0.018785 0.096248 -0.012689 -0.030782 0.070623 -0.009827 0.026887 0.089374 0.059047 -0.024291 -0.136554 0.009030 -0.009399 -0.095501 0.009082 -0.004187 -0.093477 0.026544 -0.005023 -0.092031 0.004732 -0.003346 0.005632 0.005625 -0.005664 0.004883 -0.003904 0.009015 -0.021902 -0.003411 0.000316 0.003985 -0.006933 -0.003256 -0.010870 0.007907 -0.007956 0.002968 0.018392 0.010974 0.003427 -0.010622 0.004719 -0.001261 0.000274 -0.014100 0.086828 0.011706 -0.014356 0.087975 -0.013722 0.003184 0.073593 -0.005690 0.002033 0.100330 0.002089 -0.001095 -0.098228 -0.006215 0.017585 -0.094717 0.001395 -0.063309 -0.068835 0.016087 0.060663 -0.019695 -0.011243 0.008797 -0.002291 -0.013939 0.001022 -0.003101 -0.004548 0.007744 0.000639 0.004237 0.001476 0.002511 -0.008216 0.001943 0.000978 0.000866 0.003963 -0.001624 -0.000448 0.003399 -0.003157 -0.008823 -0.006237 0.005310 -0.000811 0.014073 0.016050 -0.002130 -0.004827 -0.005701 -0.010385 -0.019352 0.105723 -0.025548 0.007850 0.105562 -0.000338 -0.007373 0.104915 0.010586 0.003862 0.098170 -0.012843 -0.015849 -0.095166 0.009564 0.031990 -0.082853 -0.010095 0.001647 -0.088646 0.007590 0.043736 -0.139550 -0.001311 0.003084 0.007813 0.002750 0.006060 0.002480 0.000196 0.005996 0.003198 -0.005750 -0.000905 0.001210 -0.004585 -0.003392 -0.006318 0.004757 0.002470 -0.002901 0.004954 -0.000479 -0.002031 -0.004494 -0.007079 -0.002154 -0.002848 0.014956 0.080966 -0.010007 -0.003484 0.094123 -0.008981 0.000486 0.076905 -0.022296 -0.011113 0.076724 0.015772 -0.040509 -0.074008 0.045541 0.025194 -0.068433 0.018947 0.004381 -0.094887 -0.022223 -0.010861 -0.101011 -0.004248 -0.006775 0.003000 -0.000158 -0.004779 -0.005417 -0.007915 -0.006283 0.002632 -0.000106 -0.004712 0.005253 -0.002415 -0.005969 0.003223 0.009758 0.007250 0.000940 -0.006678 0.005335 0.001376 -0.009882 -0.001395 -0.004458 -0.006330 -0.016749 0.099561 -0.004724 0.018712 0.096186 -0.012619 -0.030777 0.070449 -0.009933 0.026988 0.089297 0.058934 -0.023382 -0.138627 0.009456 -0.009463 -0.095215 0.009152 -0.004545 -0.093107 0.026722 -0.005338 -0.092393 0.004020 -0.001999 0.002035 0.002521 -0.003928 0.001601 -0.002067 0.005414 -0.013829 -0.000539 0.003114 0.005059 -0.006472 -0.002443 -0.007809 0.003438 -0.005934 0.002716 0.010613 0.010707 0.002521 -0.006658 0.004355 0.000338 0.000252 -0.014129 0.086723 0.011663 -0.014477 0.088019 -0.013828 0.003039 0.073541 -0.005705 0.001930 0.100168 0.002001 -0.001374 -0.097088 -0.007639 0.017094 -0.095092 0.001359 -0.063460 -0.068817 0.017048 0.060808 -0.020422 -0.010948 0.005710 0.000276 -0.009704 0.002574 -0.002182 -0.008797 0.011686 -0.000903 0.002466 0.001580 0.000691 -0.007496 0.001570 -0.000069 0.000130 0.001357 -0.002195 0.000291 0.002831 -0.001745 -0.004918 -0.004635 0.001945 0.003407 0.015699 0.010312 -0.002406 -0.006521 -0.008326 -0.010303 -0.019284 0.105668 -0.025459 0.007818 0.105637 -0.000028 -0.007375 0.104736 0.010742 0.003939 0.098029 -0.013556 -0.015867 -0.095069 0.008923 0.032088 -0.082888 -0.010313 0.001932 -0.089223 0.007172 0.043536 -0.139188 -0.002465 0.001515 0.003838 -0.000469 0.003329 0.001177 0.000272 0.007360 0.001763 -0.003561 -0.001519 0.001740 0.001706 0.003633 0.002684 0.003366 -0.001418 0.002233 -0.003218 -0.002227 -0.004855 -0.005081 -0.003759 -0.006801 -0.002582 0.014987 0.080981 -0.009777 -0.003484 0.094086 -0.008864 0.000521 0.076865 -0.022126 -0.011099 0.076559 0.016295 -0.041309 -0.075129 0.045052 0.025106 -0.067055 0.018637 0.004388 -0.095511 -0.022538 -0.010063 -0.101648 -0.003616 -0.001265 0.000455 -0.001558 0.000444 -0.000164 -0.006549 -0.006468 0.003373 -0.001111 -0.002252 0.002740 -0.000319 -0.001396 0.001611 -0.001367 0.003452 0.000601 -0.006706 0.003494 0.002385 -0.002820 0.000877 -0.000610 -0.006187 -0.016702 0.099448 -0.004637 0.018753 0.096148 -0.012692 -0.030762 0.070447 -0.009800 0.026993 0.089395 0.059988 -0.022044 -0.138502 0.008145 -0.009425 -0.094156 0.008855 -0.004347 -0.090989 0.025524 -0.004518 -0.091397 -0.000836 -0.002232 0.001181 0.002810 -0.000766 0.002388 0.002421 0.003199 -0.006861 -0.001516 0.001443 -0.001710 0.005211 -0.004360 -0.008901 0.000112 -0.002172 0.001211 0.005554 0.000983 -0.000028 -0.003073 0.006000 0.000042 0.000301 -0.014052 0.086646 0.011649 -0.014317 0.087924 -0.013757 0.003110 0.073519 -0.005572 0.002116 0.100030 0.001941 0.000097 -0.098295 -0.007325 0.016846 -0.097320 0.000831 -0.064234 -0.069174 0.017953 0.060746 -0.020177 -0.008073 0.002084 -0.000501 -0.007129 0.002193 -0.001876 -0.003092 0.003266 0.000855 0.001715 0.000190 0.000025 -0.007477 0.002690 0.000653 -0.002693 0.000824 -0.002034 -0.003113 0.000992 -0.002212 0.000036 0.000727 0.000333 -0.001868 0.011169 0.005932 -0.001982 -0.004127 -0.001065 -0.010201 -0.019366 0.105698 -0.025358 0.007686 0.105720 0.000165 -0.007491 0.104689 0.010876 0.003863 0.098014 -0.013977 -0.016013 -0.094861 0.008553 0.032036 -0.082817 -0.010404 0.001991 -0.089563 0.006964 0.043286 -0.138889 -0.003123 0.000823 0.001454 -0.002622 0.001265 0.000915 0.000185 0.008296 0.001148 -0.002526 -0.001929 0.002119 0.005708 0.008450 0.007993 0.002355 -0.004248 0.004709 -0.008475 -0.003733 -0.006863 -0.004856 -0.002276 -0.008755 -0.002395 0.014881 0.081022 -0.009606 -0.003599 0.094121 -0.008751 0.000430 0.076890 -0.021988 -0.011209 0.076530 0.016629 -0.041935 -0.075795 0.044787 0.024952 -0.066167 0.018491 0.004239 -0.095744 -0.022705 -0.009691 -0.101995 -0.003575 0.003119 -0.002387 -0.002745 0.003783 0.003721 -0.005495 -0.005754 0.003842 -0.001731 -0.001219 0.001332 0.000697 0.000383 0.001180 -0.007517 0.002403 -0.000278 -0.006583 0.002321 0.003034 0.000295 0.000794 0.001313 -0.006071 -0.016788 0.099440 -0.004546 0.018653 0.096159 -0.012667 -0.030871 0.070485 -0.009678 0.026876 0.089496 0.060689 -0.021338 -0.138247 0.007356 -0.009531 -0.093405 0.008693 -0.004330 -0.089578 0.024809 -0.004128 -0.090640 -0.003819 -0.002905 0.000671 0.002994 0.000709 0.003001 0.004902 0.001554 -0.002780 -0.001840 0.001910 -0.005371 0.013737 -0.004100 -0.010371 -0.001968 -0.000415 0.000176 0.001211 -0.005041 -0.000646 0.000643 0.006745 0.000422 0.000375 -0.014125 0.086630 0.011688 -0.014342 0.087921 -0.013657 0.003010 0.073519 -0.005435 0.002091 0.099956 0.001926 0.000892 -0.098994 -0.007053 0.016575 -0.098588 0.000548 -0.064826 -0.069288 0.018522 0.060591 -0.019883 -0.006330 0.000418 -0.001282 -0.006087 0.002607 -0.000978 0.000181 -0.001758 0.002886 0.001578 -0.000168 -0.000347 -0.006716 0.003000 0.001086 -0.004427 0.000182 -0.002290 -0.004921 0.000175 -0.002269 0.002992 0.004518 -0.000643 -0.006955 0.010523 -0.001054 -0.001745 -0.002903 0.003477 -0.010259 -0.019312 0.105785 -0.025422 0.007625 0.105910 0.000303 -0.007521 0.104612 0.010875 0.003927 0.098008 -0.015079 -0.016095 -0.094423 0.007548 0.032153 -0.082647 -0.010850 0.002330 -0.090211 0.006300 0.043006 -0.138257 -0.004691 -0.000407 -0.003382 -0.007402 -0.000880 -0.000519 0.000344 0.010500 -0.000215 -0.000655 -0.002525 0.002926 0.013388 0.018212 0.018202 0.000455 -0.009874 0.011801 -0.019573 -0.006656 -0.010957 -0.003697 0.002068 -0.014455 -0.002272 0.014881 0.081140 -0.009539 -0.003618 0.094215 -0.008795 0.000453 0.076985 -0.021962 -0.011216 0.076486 0.017058 -0.042968 -0.077121 0.043995 0.024852 -0.064318 0.017964 0.004145 -0.096188 -0.023293 -0.008727 -0.102658 -0.002771 0.009615 -0.007287 -0.005115 0.009310 0.009263 -0.004307 -0.005469 0.004444 -0.002359 0.001159 -0.001275 0.002481 0.003995 -0.001619 -0.019096 0.000681 -0.001088 -0.006195 -0.000133 0.004102 0.008808 0.002689 0.003936 -0.006089 -0.016741 0.099452 -0.004625 0.018654 0.096220 -0.012905 -0.030876 0.070580 -0.009701 0.026865 0.089727 0.061817 -0.019739 -0.137698 0.005518 -0.009563 -0.091879 0.008102 -0.004099 -0.086703 0.023125 -0.003150 -0.089099 -0.008174 -0.003915 -0.000733 0.003981 0.004348 0.004496 0.010219 -0.001096 0.006318 -0.002548 0.000836 -0.012834 0.029162 -0.007373 -0.010643 -0.006030 0.003042 -0.000642 -0.006959 -0.015470 -0.002208 0.005337 0.008998 -0.001284 0.000260 -0.014051 0.086624 0.011494 -0.014180 0.087949 -0.013743 0.003035 0.073576 -0.005436 0.002266 0.099846 0.001662 0.002715 -0.100392 -0.006758 0.016236 -0.101110 -0.000291 -0.065797 -0.069473 0.019374 0.060472 -0.019262 -0.003513 -0.003253 -0.003198 -0.003988 0.002593 -0.000042 0.006832 -0.012946 0.006781 0.001158 -0.000841 -0.000501 -0.005967 0.004249 0.002807 -0.008177 -0.000944 -0.002663 -0.009667 -0.000884 -0.002937 0.007910 0.011927 -0.002484 -0.006328 0.002453 -0.012482 -0.001238 0.000034 0.012698 -0.010135 -0.019359 0.105616 -0.025303 0.007693 0.105700 0.000156 -0.007480 0.104680 0.010908 0.003851 0.097977 -0.014261 -0.016105 -0.094749 0.008351 0.032149 -0.082794 -0.010492 0.002118 -0.089844 0.006875 0.043228 -0.138714 -0.003528 0.000532 0.000156 -0.004111 0.000842 0.000486 0.000047 0.008965 0.000670 -0.001849 -0.002332 0.002307 0.008282 0.011237 0.010871 0.002364 -0.005247 0.005191 -0.012004 -0.004734 -0.007943 -0.004136 -0.000581 -0.010428 -0.002399 0.014912 0.080947 -0.009592 -0.003597 0.094094 -0.008684 0.000454 0.076914 -0.021950 -0.011213 0.076540 0.016891 -0.042271 -0.076286 0.044562 0.024959 -0.065503 0.018417 0.004140 -0.095914 -0.022753 -0.009443 -0.102238 -0.003085 0.004955 -0.003945 -0.003297 0.004930 0.005257 -0.005765 -0.006190 0.004099 -0.002270 -0.000626 0.000440 0.001287 0.000994 0.000703 -0.010972 0.002345 -0.000866 -0.006757 0.001603 0.003460 0.001801 0.000734 0.002192 -0.006032 -0.016809 0.099525 -0.004493 0.018674 0.096102 -0.012620 -0.030880 0.070445 -0.009635 0.026890 0.089419 0.061144 -0.020753 -0.138078 0.006831 -0.009666 -0.092920 0.008544 -0.004286 -0.088629 0.024411 -0.003847 -0.090105 -0.005064 -0.003226 0.000232 0.003298 0.002012 0.003723 0.007054 0.000588 0.000218 -0.002248 0.001513 -0.007776 0.018208 -0.005545 -0.009834 -0.003325 0.000405 0.000186 -0.001349 -0.008525 -0.000787 0.002014 0.007843 0.000157 0.000390 -0.014104 0.086622 0.011737 -0.014366 0.087918 -0.013591 0.003007 0.073376 -0.005379 0.002093 0.099938 0.001970 0.001496 -0.099532 -0.006995 0.016334 -0.099515 0.000296 -0.065179 -0.069353 0.018881 0.060576 -0.019677 -0.006045 -0.000521 -0.001656 -0.005832 0.003024 -0.000784 0.002019 -0.004009 0.003630 0.001644 -0.000437 -0.000075 -0.006850 0.002946 0.001880 -0.005759 -0.000292 -0.002472 -0.006335 -0.000269 -0.002353 0.004831 0.006673 -0.001264 -0.006769 0.009335 -0.003448 -0.001549 -0.002162 0.005813 -0.010141 -0.019352 0.105669 -0.025294 0.007596 0.105873 0.000399 -0.007543 0.104522 0.010970 0.003920 0.098043 -0.015007 -0.015551 -0.094646 0.007821 0.031826 -0.082487 -0.010513 0.002353 -0.088939 0.005669 0.042873 -0.138139 0.000088 0.000893 -0.000811 -0.005792 -0.000490 -0.000107 -0.003709 0.005207 -0.000819 -0.001061 -0.000260 0.000362 0.002930 0.009076 0.006817 -0.000020 -0.000164 0.004739 -0.004030 -0.002562 -0.005936 -0.001469 -0.005551 -0.006603 -0.002164 0.014894 0.081051 -0.009398 -0.003627 0.094218 -0.008689 0.000457 0.076968 -0.021875 -0.011194 0.076426 0.016328 -0.043291 -0.075216 0.044186 0.024871 -0.063705 0.017797 0.004177 -0.096286 -0.023414 -0.008678 -0.103032 -0.000998 0.004766 -0.002784 -0.002496 0.004607 0.004384 -0.003862 -0.001023 0.000842 -0.003044 0.001819 0.000104 -0.001616 0.002580 -0.001197 -0.009302 0.001768 0.001131 -0.004106 0.000817 0.003097 0.003211 0.003029 0.002079 -0.005951 -0.016790 0.099496 -0.004478 0.018631 0.096079 -0.012754 -0.030873 0.070391 -0.009567 0.026845 0.089625 0.060974 -0.020095 -0.138813 0.005875 -0.008550 -0.092274 0.008768 -0.004418 -0.087780 0.023063 -0.003305 -0.089629 -0.003149 -0.000864 -0.001367 0.001067 0.000629 0.000588 0.003806 -0.000142 0.001006 -0.001330 0.000175 -0.005041 0.004877 0.000824 -0.000846 -0.001583 0.002823 -0.001104 0.000309 -0.006565 -0.000756 0.000302 0.003253 -0.001224 0.000407 -0.014097 0.086638 0.011653 -0.014200 0.087921 -0.013594 0.003059 0.073487 -0.005341 0.002197 0.099814 0.001494 0.002290 -0.099002 -0.006724 0.016493 -0.100193 0.000402 -0.065136 -0.069592 0.019618 0.060083 -0.019757 -0.001679 -0.001598 -0.000668 -0.002256 -0.000611 -0.000588 0.002458 -0.007141 0.003148 -0.001184 0.000640 0.000021 -0.006000 0.002758 0.001526 -0.004928 -0.000479 -0.002053 -0.005836 0.000693 -0.001950 0.002360 0.004115 -0.000787 -0.004947 0.003785 -0.002262 0.002470 -0.002674 0.000326 -0.010046 -0.019375 0.105663 -0.025198 0.007562 0.105928 0.000507 -0.007573 0.104488 0.011073 0.003921 0.098041 -0.015344 -0.015302 -0.094549 0.007663 0.031688 -0.082242 -0.010434 0.002511 -0.088343 0.005124 0.042702 -0.137764 0.002545 0.001068 -0.001079 -0.006750 -0.000935 -0.000349 -0.006613 0.002737 -0.001832 -0.000118 0.000286 -0.000531 0.001271 0.008599 0.005903 -0.000703 0.002254 0.003702 -0.000074 -0.000954 -0.004527 -0.000643 -0.008808 -0.004556 -0.002046 0.014884 0.081051 -0.009268 -0.003657 0.094267 -0.008591 0.000462 0.077031 -0.021790 -0.011210 0.076430 0.016139 -0.043864 -0.074603 0.044033 0.024833 -0.062599 0.017570 0.004117 -0.096454 -0.023680 -0.008333 -0.103419 -0.000328 0.004303 -0.001954 -0.002060 0.004263 0.004023 -0.002919 0.003228 -0.001755 -0.003452 0.003065 0.000117 -0.002876 0.003608 -0.002706 -0.008278 0.002169 0.001538 -0.002710 -0.000159 0.002110 0.002807 0.002978 0.002386 -0.005861 -0.016798 0.099537 -0.004385 0.018620 0.096070 -0.012682 -0.030883 0.070375 -0.009472 0.026815 0.089643 0.060953 -0.019677 -0.139157 0.005457 -0.008017 -0.091828 0.008977 -0.004531 -0.087218 0.022456 -0.003067 -0.089243 -0.001592 -0.000395 -0.001877 0.000149 0.000097 -0.000768 0.003236 -0.001241 0.001279 -0.000511 -0.000533 -0.003914 -0.002040 0.003195 0.002777 -0.001032 0.003900 -0.001406 0.001242 -0.005455 -0.000638 -0.000011 0.001182 -0.002674 0.000468 -0.014099 0.086640 0.011703 -0.014206 0.087948 -0.013488 0.003041 0.073458 -0.005230 0.002199 0.099771 0.001346 0.002671 -0.098674 -0.006573 0.016466 -0.100529 0.000540 -0.065154 -0.069686 0.020151 0.059772 -0.019764 0.000272 -0.002200 -0.000237 -0.000630 -0.002630 -0.000443 0.002624 -0.008218 0.002968 -0.002990 0.001291 -0.000218 -0.006254 0.002551 0.001264 -0.004411 -0.000189 -0.001666 -0.005641 0.001117 -0.001630 0.000983 0.003180 -0.000667 -0.007121 0.003051 -0.000475 0.004555 -0.002926 -0.002432 -0.010011 -0.019395 0.105640 -0.025152 0.007458 0.106042 0.000695 -0.007642 0.104349 0.011149 0.003932 0.098069 -0.016064 -0.014817 -0.094552 0.007211 0.031383 -0.082017 -0.010413 0.002750 -0.087513 0.003975 0.042323 -0.137287 0.006185 0.001429 -0.002038 -0.008120 -0.002374 -0.001364 -0.009997 -0.001334 -0.003674 0.000799 0.002120 -0.002556 -0.003129 0.006661 0.002998 -0.002869 0.007510 0.001919 0.007955 0.000518 -0.003052 0.001027 -0.014768 0.000471 -0.001869 0.014854 0.081077 -0.009108 -0.003703 0.094330 -0.008550 0.000448 0.077060 -0.021703 -0.011220 0.076318 0.015646 -0.044937 -0.073660 0.043649 0.024765 -0.060747 0.017006 0.004055 -0.096957 -0.024253 -0.007612 -0.104347 0.001084 0.004252 -0.000574 -0.001229 0.003746 0.003128 -0.001204 0.008083 -0.004994 -0.004283 0.005940 -0.000628 -0.005628 0.005034 -0.003512 -0.006709 0.001907 0.002023 -0.000680 -0.001282 0.001419 0.001275 0.004066 0.003239 -0.005773 -0.016832 0.099556 -0.004337 0.018556 0.096014 -0.012756 -0.030907 0.070292 -0.009393 0.026751 0.089742 0.060827 -0.018956 -0.139987 0.004524 -0.007015 -0.091231 0.009227 -0.004716 -0.086368 0.021180 -0.002589 -0.088800 0.000778 0.001644 -0.003437 -0.001777 -0.000901 -0.003590 0.001303 -0.002298 0.002224 0.000268 -0.000609 -0.001517 -0.014893 0.008837 0.010562 -0.001057 0.005572 -0.002448 0.002707 -0.003456 -0.001069 -0.001260 -0.003183 -0.004275 0.000502 -0.014114 0.086623 0.011680 -0.014118 0.087954 -0.013444 0.003051 0.073469 -0.005171 0.002247 0.099669 0.000952 0.003473 -0.098304 -0.006346 0.016508 -0.101411 0.000661 -0.065170 -0.070042 0.020964 0.059260 -0.019932 0.005579 -0.002590 0.000510 0.002152 -0.005131 -0.000223 0.003165 -0.010938 0.002293 -0.006359 0.001842 0.000063 -0.005187 0.002742 0.000108 -0.003148 0.000135 -0.000666 -0.003252 0.000744 0.001618 -0.000629 0.001018 -0.000744 -0.006738 0.000376 0.002521 0.008365 -0.003385 -0.007785 -0.009989 -0.019357 0.105606 -0.025149 0.007549 0.105936 0.000557 -0.007582 0.104436 0.011131 0.003919 0.097994 -0.015719 -0.015011 -0.094676 0.007511 0.031552 -0.082155 -0.010346 0.002709 -0.087815 0.004497 0.042524 -0.137578 0.004609 0.001357 -0.001495 -0.007855 -0.001420 -0.000722 -0.009118 0.001186 -0.002810 0.000404 0.001090 -0.001782 -0.000665 0.007344 0.004880 -0.001595 0.005483 0.001724 0.004183 -0.000772 -0.003967 0.000449 -0.012317 -0.001103 -0.002013 0.014896 0.081006 -0.009223 -0.003649 0.094240 -0.008529 0.000481 0.077027 -0.021725 -0.011198 0.076392 0.015885 -0.044466 -0.074085 0.043828 0.024863 -0.061502 0.017326 0.004043 -0.096874 -0.023936 -0.007943 -0.104059 0.000471 0.004204 -0.001274 -0.001575 0.003825 0.003487 -0.002841 0.004907 -0.003353 -0.003822 0.004586 0.000106 -0.004537 0.004380 -0.002959 -0.007534 0.002274 0.001648 -0.001958 -0.000828 0.001818 0.001823 0.003328 0.002733 -0.005818 -0.016811 0.099588 -0.004336 0.018606 0.096029 -0.012669 -0.030873 0.070336 -0.009423 0.026807 0.089611 0.060827 -0.019230 -0.139756 0.005007 -0.007455 -0.091542 0.009193 -0.004658 -0.086829 0.021810 -0.002852 -0.089047 -0.000153 0.000540 -0.002677 -0.000857 -0.000469 -0.002384 0.002495 -0.001789 0.001501 -0.000100 -0.000019 -0.002805 -0.008203 0.005547 0.007220 -0.001059 0.004606 -0.002029 0.002189 -0.004206 -0.001034 -0.000583 -0.001105 -0.003695 0.000496 -0.014076 0.086591 0.011728 -0.014186 0.087975 -0.013422 0.003046 0.073382 -0.005187 0.002222 0.099726 0.001174 0.003102 -0.098517 -0.006496 0.016471 -0.101073 0.000680 -0.065119 -0.070034 0.020657 0.059471 -0.019985 0.001753 -0.002476 0.000198 0.000472 -0.003664 -0.000549 0.002650 -0.009020 0.002672 -0.004471 0.001471 0.000074 -0.005816 0.002895 0.000751 -0.003963 -0.000088 -0.001065 -0.004399 0.001476 0.000734 0.000144 0.002080 -0.000710 -0.005323 0.000864 0.001693 0.006460 -0.003064 -0.005174 -0.010024 -0.019359 0.105512 -0.025134 0.007529 0.106056 0.000657 -0.007557 0.104381 0.011118 0.004016 0.097997 -0.016365 -0.014340 -0.094534 0.006958 0.031467 -0.082780 -0.010583 0.002901 -0.088430 0.003985 0.042630 -0.137452 0.002504 0.001233 -0.000349 -0.000782 -0.000736 -0.001251 -0.002897 -0.001409 -0.001807 -0.002289 0.002244 -0.001877 -0.003113 0.001526 -0.000190 -0.001413 0.004411 -0.000169 0.000566 -0.000415 -0.004778 -0.000040 -0.001542 -0.003601 -0.001889 0.014902 0.081025 -0.009075 -0.003608 0.094411 -0.008549 0.000537 0.077125 -0.021785 -0.011145 0.076360 0.015022 -0.044237 -0.073624 0.043663 0.024696 -0.062295 0.016432 0.003995 -0.096337 -0.024671 -0.007796 -0.104075 -0.000325 -0.000109 0.000605 -0.000967 0.002701 -0.001198 0.001150 0.002737 -0.001207 -0.001414 0.002182 0.001488 -0.003506 0.001584 -0.001883 0.000409 0.001751 0.001235 -0.002799 -0.000315 -0.000708 -0.002369 0.004177 0.001246 -0.005746 -0.016800 0.099511 -0.004338 0.018603 0.095988 -0.012751 -0.030809 0.070320 -0.009387 0.026809 0.089764 0.060602 -0.019322 -0.140387 0.004675 -0.006498 -0.091607 0.009156 -0.004715 -0.087931 0.021378 -0.002564 -0.088911 -0.000597 0.000730 -0.002384 -0.001385 -0.000676 -0.002762 -0.002147 0.000595 0.002397 -0.001965 -0.002620 0.000594 0.000290 0.000244 0.002986 -0.000209 0.002536 -0.001712 -0.000706 0.000626 -0.001263 -0.002890 -0.002058 -0.000984 0.000512 -0.014062 0.086677 0.011728 -0.014060 0.087963 -0.013453 0.003115 0.073537 -0.005236 0.002320 0.099782 0.000838 0.002607 -0.097569 -0.006029 0.016659 -0.101380 0.000706 -0.064416 -0.069467 0.021075 0.059207 -0.019975 0.002566 0.000313 -0.000044 0.000254 -0.002991 -0.000123 0.001150 -0.002838 -0.000153 -0.004120 0.000886 0.000412 -0.002753 0.000817 0.000191 -0.001435 0.000835 0.000534 -0.003112 0.001330 0.001367 -0.005071 0.000748 0.000798 -0.005917 0.002892 0.003682 0.001839 -0.002094 0.001252</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="1.08188"
                           xFract="0.06983305"
                           y3="0.62571"
                           yFract="0.06975399"
                           z3="5.3858"
                           zFract="0.24977148"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="2.35906"
                           xFract="0.06966381"
                           y3="2.85198"
                           yFract="0.31793798"
                           z3="5.53822"
                           zFract="0.24955459"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="3.64831"
                           xFract="0.31800077"
                           y3="0.62418"
                           yFract="0.06958342"
                           z3="5.53802"
                           zFract="0.24954568"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.92615"
                           xFract="0.317882"
                           y3="2.85069"
                           yFract="0.31779417"
                           z3="5.69426"
                           zFract="0.2495066"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.18429"
                           xFract="0.14098869"
                           y3="1.26334"
                           yFract="0.14083681"
                           z3="7.59342"
                           zFract="0.34961393"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="3.51557"
                           xFract="0.14086906"
                           y3="3.58289"
                           yFract="0.39941964"
                           z3="7.75611"
                           zFract="0.34956937"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="4.86048"
                           xFract="0.39978686"
                           y3="1.26144"
                           yFract="0.140625"
                           z3="7.75517"
                           zFract="0.34952137"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.13978"
                           xFract="0.39619969"
                           y3="3.55295"
                           yFract="0.39608193"
                           z3="7.83602"
                           zFract="0.34581491"/>
                     <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="3.63731"
                           xFract="0.06962354"
                           y3="5.07779"
                           yFract="0.5660707"
                           z3="5.69991"
                           zFract="0.24977245"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.9242"
                           xFract="0.06810613"
                           y3="7.34524"
                           yFract="0.81884543"
                           z3="5.82198"
                           zFract="0.24802777"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.22212"
                           xFract="0.31817134"
                           y3="5.10141"
                           yFract="0.56870385"
                           z3="5.82804"
                           zFract="0.24831578"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.51032"
                           xFract="0.31823604"
                           y3="7.34265"
                           yFract="0.81855669"
                           z3="5.98641"
                           zFract="0.24832263"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.81362"
                           xFract="0.14364735"
                           y3="5.79241"
                           yFract="0.64573635"
                           z3="7.85536"
                           zFract="0.34681328"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.08532"
                           xFract="0.14372304"
                           y3="8.00473"
                           yFract="0.8923652"
                           z3="8.01048"
                           zFract="0.34676281"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="7.39149"
                           xFract="0.39383606"
                           y3="5.7744"
                           yFract="0.6437286"
                           z3="8.02262"
                           zFract="0.34729113"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.68165"
                           xFract="0.39611877"
                           y3="7.97911"
                           yFract="0.88950909"
                           z3="8.1491"
                           zFract="0.34584973"/>
                     <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="6.21552"
                           xFract="0.56618447"
                           y3="0.62372"
                           yFract="0.06953214"
                           z3="5.69937"
                           zFract="0.24974632"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="7.52327"
                           xFract="0.56877701"
                           y3="2.85347"
                           yFract="0.31810409"
                           z3="5.82805"
                           zFract="0.24831608"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="8.82274"
                           xFract="0.81896872"
                           y3="0.61006"
                           yFract="0.06800933"
                           z3="5.82185"
                           zFract="0.24802085"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.10821"
                           xFract="0.81861848"
                           y3="2.85402"
                           yFract="0.3181654"
                           z3="5.98644"
                           zFract="0.2483243"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.42212"
                           xFract="0.64596112"
                           y3="1.28747"
                           yFract="0.14352682"
                           z3="7.85507"
                           zFract="0.3467965"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="8.68982"
                           xFract="0.64387149"
                           y3="3.53182"
                           yFract="0.39372637"
                           z3="8.0226"
                           zFract="0.3472892"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="9.97308"
                           xFract="0.89251737"
                           y3="1.28803"
                           yFract="0.14358925"
                           z3="8.01067"
                           zFract="0.34677122"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.24442"
                           xFract="0.88971952"
                           y3="3.55147"
                           yFract="0.39591694"
                           z3="8.14955"
                           zFract="0.34587069"/>
                     <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="8.80985"
                           xFract="0.56846521"
                           y3="5.09867"
                           yFract="0.56839839"
                           z3="5.99385"
                           zFract="0.2486713"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="10.10196"
                           xFract="0.56875793"
                           y3="7.34261"
                           yFract="0.81855223"
                           z3="6.1446"
                           zFract="0.24830308"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="11.39907"
                           xFract="0.81862822"
                           y3="5.10088"
                           yFract="0.56864476"
                           z3="6.14469"
                           zFract="0.24830843"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.68955"
                           xFract="0.81881392"
                           y3="7.34391"
                           yFract="0.81869716"
                           z3="6.29727"
                           zFract="0.24803271"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.97595"
                           xFract="0.64373165"
                           y3="5.77314"
                           yFract="0.64358813"
                           z3="8.18059"
                           zFract="0.34728396"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="11.27626"
                           xFract="0.64565387"
                           y3="8.00201"
                           yFract="0.89206197"
                           z3="8.32913"
                           zFract="0.34681305"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="12.55642"
                           xFract="0.89225642"
                           y3="5.78962"
                           yFract="0.64542532"
                           z3="8.32911"
                           zFract="0.34681312"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.85254"
                           xFract="0.89387969"
                           y3="8.01658"
                           yFract="0.89368623"
                           z3="8.49028"
                           zFract="0.34695298"/>
                     <atom elementType="Cl"
                           id="a65"
                           x3="3.41081"
                           xFract="0.22051075"
                           y3="1.96635"
                           yFract="0.21920818"
                           z3="9.57101"
                           zFract="0.43814325"/>
                     <atom elementType="H"
                           id="a66"
                           x3="6.22212"
                           xFract="0.49664501"
                           y3="1.88747"
                           yFract="0.21041466"
                           z3="8.85507"
                           zFract="0.39640664"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a4" 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 a8" order="S"/>
                     <bond atomRefs2="a4 a19" 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 a12" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a27" 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 a42" 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 a27" order="S"/>
                     <bond atomRefs2="a8 a42" 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 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a25" order="S"/>
                     <bond atomRefs2="a11 a41" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a42" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a27" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a65" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a29" order="S"/>
                     <bond atomRefs2="a14 a25" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a45" order="S"/>
                     <bond atomRefs2="a16 a42" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a31" order="S"/>
                     <bond atomRefs2="a16 a27" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a46" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a19" 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 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a27" 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 a58" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a42" order="S"/>
                     <bond atomRefs2="a27 a57" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a58" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a61" order="S"/>
                     <bond atomRefs2="a31 a46" order="S"/>
                     <bond atomRefs2="a31 a57" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a62" order="S"/>
                     <bond atomRefs2="a32 a58" 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 a43" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a42" 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 a59" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a59" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a57" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a44 a59" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a45 a66" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a46 a61" order="S"/>
                     <bond atomRefs2="a46 a57" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a48 a59" order="S"/>
                     <bond atomRefs2="a48 a63" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                  </bondArray>
                  <formula concise="HClCu64">
                     <atomArray count="1 1 64" elementType="H Cl Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4102.396999999995</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="1.08205"
                           xFract="0.06985393"
                           y3="0.62563"
                           yFract="0.06974507"
                           z3="5.38556"
                           zFract="0.24975981"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="2.35893"
                           xFract="0.06965069"
                           y3="2.85199"
                           yFract="0.3179391"
                           z3="5.53824"
                           zFract="0.24955589"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="3.64885"
                           xFract="0.31804353"
                           y3="0.62435"
                           yFract="0.06960237"
                           z3="5.53869"
                           zFract="0.24957543"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.92598"
                           xFract="0.31785335"
                           y3="2.85091"
                           yFract="0.3178187"
                           z3="5.69326"
                           zFract="0.24945957"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.18467"
                           xFract="0.14101987"
                           y3="1.26344"
                           yFract="0.14084796"
                           z3="7.59382"
                           zFract="0.34963153"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="3.51497"
                           xFract="0.14080939"
                           y3="3.58292"
                           yFract="0.39942298"
                           z3="7.75617"
                           zFract="0.34957388"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="4.8619"
                           xFract="0.39991135"
                           y3="1.26167"
                           yFract="0.14065064"
                           z3="7.75764"
                           zFract="0.34963335"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.13992"
                           xFract="0.39632318"
                           y3="3.55097"
                           yFract="0.3958612"
                           z3="7.83894"
                           zFract="0.34595549"/>
                     <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="3.63727"
                           xFract="0.06961467"
                           y3="5.07788"
                           yFract="0.56608073"
                           z3="5.69999"
                           zFract="0.24977619"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.92431"
                           xFract="0.06812121"
                           y3="7.34516"
                           yFract="0.81883651"
                           z3="5.82172"
                           zFract="0.24801533"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.22217"
                           xFract="0.3182156"
                           y3="5.1007"
                           yFract="0.5686247"
                           z3="5.82873"
                           zFract="0.24834935"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.5102"
                           xFract="0.31821889"
                           y3="7.34275"
                           yFract="0.81856784"
                           z3="5.98622"
                           zFract="0.24831385"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.81366"
                           xFract="0.14365955"
                           y3="5.79226"
                           yFract="0.64571962"
                           z3="7.85521"
                           zFract="0.34680635"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.08528"
                           xFract="0.14371973"
                           y3="8.00472"
                           yFract="0.89236408"
                           z3="8.01064"
                           zFract="0.34677048"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="7.39148"
                           xFract="0.39383121"
                           y3="5.77447"
                           yFract="0.6437364"
                           z3="8.02239"
                           zFract="0.3472802"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.68167"
                           xFract="0.39611627"
                           y3="7.97919"
                           yFract="0.88951801"
                           z3="8.14891"
                           zFract="0.34584058"/>
                     <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="6.21564"
                           xFract="0.56622328"
                           y3="0.62323"
                           yFract="0.06947752"
                           z3="5.69759"
                           zFract="0.24966287"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="7.52383"
                           xFract="0.5688106"
                           y3="2.85384"
                           yFract="0.31814533"
                           z3="5.82624"
                           zFract="0.2482285"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="8.82187"
                           xFract="0.8188613"
                           y3="0.61048"
                           yFract="0.06805615"
                           z3="5.82277"
                           zFract="0.24806604"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.10795"
                           xFract="0.81860279"
                           y3="2.85385"
                           yFract="0.31814645"
                           z3="5.98673"
                           zFract="0.24833901"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.42198"
                           xFract="0.64595369"
                           y3="1.28736"
                           yFract="0.14351455"
                           z3="7.85721"
                           zFract="0.34689799"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="8.69088"
                           xFract="0.64393897"
                           y3="3.53245"
                           yFract="0.3937966"
                           z3="8.02228"
                           zFract="0.34727"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="9.97322"
                           xFract="0.89253479"
                           y3="1.28796"
                           yFract="0.14358144"
                           z3="8.0103"
                           zFract="0.34675348"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.24438"
                           xFract="0.88972342"
                           y3="3.55133"
                           yFract="0.39590134"
                           z3="8.14968"
                           zFract="0.34587717"/>
                     <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="8.8097"
                           xFract="0.56845793"
                           y3="5.09854"
                           yFract="0.5683839"
                           z3="5.99406"
                           zFract="0.24868186"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="10.10198"
                           xFract="0.56875598"
                           y3="7.34268"
                           yFract="0.81856004"
                           z3="6.14488"
                           zFract="0.24831611"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="11.39915"
                           xFract="0.81863707"
                           y3="5.10086"
                           yFract="0.56864253"
                           z3="6.1448"
                           zFract="0.24831342"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.68955"
                           xFract="0.81880003"
                           y3="7.34416"
                           yFract="0.81872503"
                           z3="6.29752"
                           zFract="0.24804408"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.97586"
                           xFract="0.64372073"
                           y3="5.77318"
                           yFract="0.64359259"
                           z3="8.18068"
                           zFract="0.3472884"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="11.27622"
                           xFract="0.64571665"
                           y3="8.00081"
                           yFract="0.8919282"
                           z3="8.32872"
                           zFract="0.34679583"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="12.55648"
                           xFract="0.89226111"
                           y3="5.78964"
                           yFract="0.64542755"
                           z3="8.32925"
                           zFract="0.34681952"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.85268"
                           xFract="0.89389766"
                           y3="8.0165"
                           yFract="0.89367732"
                           z3="8.48992"
                           zFract="0.34693574"/>
                     <atom elementType="Cl"
                           id="a65"
                           x3="3.40751"
                           xFract="0.2201651"
                           y3="1.96683"
                           yFract="0.21926169"
                           z3="9.57111"
                           zFract="0.43815668"/>
                     <atom elementType="H"
                           id="a66"
                           x3="6.22258"
                           xFract="0.49659563"
                           y3="1.88916"
                           yFract="0.21060306"
                           z3="8.85125"
                           zFract="0.39622238"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a4" 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 a8" order="S"/>
                     <bond atomRefs2="a4 a19" 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 a12" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a27" 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 a42" 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 a27" order="S"/>
                     <bond atomRefs2="a8 a42" 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 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a25" order="S"/>
                     <bond atomRefs2="a11 a41" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a42" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a27" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a65" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a29" order="S"/>
                     <bond atomRefs2="a14 a25" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a45" order="S"/>
                     <bond atomRefs2="a16 a42" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a31" order="S"/>
                     <bond atomRefs2="a16 a27" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a46" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a19" 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 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a27" 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 a58" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a42" order="S"/>
                     <bond atomRefs2="a27 a57" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a58" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a61" order="S"/>
                     <bond atomRefs2="a31 a46" order="S"/>
                     <bond atomRefs2="a31 a57" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a62" order="S"/>
                     <bond atomRefs2="a32 a58" 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 a43" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a42" 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 a59" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a59" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a57" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a44 a59" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a45 a66" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a46 a61" order="S"/>
                     <bond atomRefs2="a46 a57" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a48 a59" order="S"/>
                     <bond atomRefs2="a48 a63" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                  </bondArray>
                  <formula concise="HClCu64">
                     <atomArray count="1 1 64" elementType="H Cl Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4102.396999999995</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="1.08257"
                           xFract="0.06991752"
                           y3="0.62539"
                           yFract="0.06971831"
                           z3="5.38484"
                           zFract="0.24972476"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="2.35853"
                           xFract="0.0696098"
                           y3="2.85203"
                           yFract="0.31794356"
                           z3="5.53827"
                           zFract="0.24955839"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="3.65047"
                           xFract="0.31817236"
                           y3="0.62485"
                           yFract="0.06965811"
                           z3="5.54072"
                           zFract="0.24966564"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.92547"
                           xFract="0.31776684"
                           y3="2.85158"
                           yFract="0.31789339"
                           z3="5.69029"
                           zFract="0.24931989"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.18579"
                           xFract="0.14111148"
                           y3="1.26374"
                           yFract="0.1408814"
                           z3="7.59503"
                           zFract="0.34968485"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="3.51318"
                           xFract="0.14063081"
                           y3="3.58302"
                           yFract="0.39943413"
                           z3="7.75633"
                           zFract="0.34958642"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="4.86615"
                           xFract="0.40028552"
                           y3="1.26233"
                           yFract="0.14072422"
                           z3="7.76505"
                           zFract="0.34996936"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.14032"
                           xFract="0.39669059"
                           y3="3.54505"
                           yFract="0.39520124"
                           z3="7.84768"
                           zFract="0.34637631"/>
                     <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="3.63714"
                           xFract="0.06958656"
                           y3="5.07816"
                           yFract="0.56611194"
                           z3="5.7002"
                           zFract="0.249786"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.92464"
                           xFract="0.06816699"
                           y3="7.34491"
                           yFract="0.81880864"
                           z3="5.82094"
                           zFract="0.24797802"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.22233"
                           xFract="0.3183488"
                           y3="5.09858"
                           yFract="0.56838836"
                           z3="5.83082"
                           zFract="0.24845098"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.50986"
                           xFract="0.3181677"
                           y3="7.34308"
                           yFract="0.81860463"
                           z3="5.98565"
                           zFract="0.2482874"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.81377"
                           xFract="0.14369572"
                           y3="5.7918"
                           yFract="0.64566834"
                           z3="7.85478"
                           zFract="0.34678652"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.08515"
                           xFract="0.14370883"
                           y3="8.00469"
                           yFract="0.89236074"
                           z3="8.01112"
                           zFract="0.34679354"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="7.39143"
                           xFract="0.39381638"
                           y3="5.77465"
                           yFract="0.64375647"
                           z3="8.02172"
                           zFract="0.34724845"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.68174"
                           xFract="0.39611026"
                           y3="7.97942"
                           yFract="0.88954365"
                           z3="8.14833"
                           zFract="0.34581265"/>
                     <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="6.21601"
                           xFract="0.56634123"
                           y3="0.62175"
                           yFract="0.06931253"
                           z3="5.69223"
                           zFract="0.24941155"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="7.52552"
                           xFract="0.56891343"
                           y3="2.85493"
                           yFract="0.31826685"
                           z3="5.82082"
                           zFract="0.24796625"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="8.81927"
                           xFract="0.81854056"
                           y3="0.61173"
                           yFract="0.0681955"
                           z3="5.82552"
                           zFract="0.24820112"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.10714"
                           xFract="0.81855281"
                           y3="2.85334"
                           yFract="0.31808959"
                           z3="5.98759"
                           zFract="0.24838275"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.42155"
                           xFract="0.64593045"
                           y3="1.28703"
                           yFract="0.14347777"
                           z3="7.86364"
                           zFract="0.34720295"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="8.69406"
                           xFract="0.6441403"
                           y3="3.53436"
                           yFract="0.39400952"
                           z3="8.02134"
                           zFract="0.34721331"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="9.97365"
                           xFract="0.89258969"
                           y3="1.28772"
                           yFract="0.14355469"
                           z3="8.00922"
                           zFract="0.34670172"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.24427"
                           xFract="0.88973556"
                           y3="3.55092"
                           yFract="0.39585563"
                           z3="8.15005"
                           zFract="0.34589562"/>
                     <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="8.80925"
                           xFract="0.56843497"
                           y3="5.09817"
                           yFract="0.56834265"
                           z3="5.99468"
                           zFract="0.248713"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="10.10205"
                           xFract="0.56875219"
                           y3="7.34287"
                           yFract="0.81858122"
                           z3="6.14573"
                           zFract="0.24835566"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="11.39941"
                           xFract="0.81866553"
                           y3="5.1008"
                           yFract="0.56863584"
                           z3="6.14513"
                           zFract="0.24832833"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.68958"
                           xFract="0.81876184"
                           y3="7.3449"
                           yFract="0.81880752"
                           z3="6.29826"
                           zFract="0.24807765"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.9756"
                           xFract="0.64368838"
                           y3="5.77331"
                           yFract="0.64360708"
                           z3="8.18097"
                           zFract="0.34730261"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="11.27608"
                           xFract="0.64590191"
                           y3="7.99723"
                           yFract="0.8915291"
                           z3="8.32749"
                           zFract="0.34674422"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="12.55665"
                           xFract="0.89227477"
                           y3="5.78969"
                           yFract="0.64543312"
                           z3="8.32965"
                           zFract="0.3468378"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.85311"
                           xFract="0.89395256"
                           y3="8.01626"
                           yFract="0.89365056"
                           z3="8.48883"
                           zFract="0.3468835"/>
                     <atom elementType="Cl"
                           id="a65"
                           x3="3.39763"
                           xFract="0.21912842"
                           y3="1.9683"
                           yFract="0.21942557"
                           z3="9.57143"
                           zFract="0.43819782"/>
                     <atom elementType="H"
                           id="a66"
                           x3="6.22397"
                           xFract="0.49644789"
                           y3="1.89424"
                           yFract="0.21116938"
                           z3="8.83978"
                           zFract="0.39566908"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a4" 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 a8" order="S"/>
                     <bond atomRefs2="a4 a19" 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 a12" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a27" 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 a42" 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 a27" order="S"/>
                     <bond atomRefs2="a8 a42" 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 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a25" order="S"/>
                     <bond atomRefs2="a11 a41" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a42" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a27" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a65" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a29" order="S"/>
                     <bond atomRefs2="a14 a25" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a66" order="S"/>
                     <bond atomRefs2="a15 a45" order="S"/>
                     <bond atomRefs2="a16 a42" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a31" order="S"/>
                     <bond atomRefs2="a16 a27" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a46" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a19" 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 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a27" 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 a58" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a42" order="S"/>
                     <bond atomRefs2="a27 a57" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a58" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a61" order="S"/>
                     <bond atomRefs2="a31 a46" order="S"/>
                     <bond atomRefs2="a31 a57" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a62" order="S"/>
                     <bond atomRefs2="a32 a58" 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 a43" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a42" 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 a59" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a59" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a57" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a44 a59" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a45 a66" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a46 a61" order="S"/>
                     <bond atomRefs2="a46 a57" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a48 a59" order="S"/>
                     <bond atomRefs2="a48 a63" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                  </bondArray>
                  <formula concise="HClCu64">
                     <atomArray count="1 1 64" elementType="H Cl Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4102.396999999995</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="1.08359"
                           xFract="0.07004333"
                           y3="0.6249"
                           yFract="0.06966369"
                           z3="5.38339"
                           zFract="0.24965427"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="2.35773"
                           xFract="0.06952747"
                           y3="2.85212"
                           yFract="0.31795359"
                           z3="5.53835"
                           zFract="0.24956432"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="3.6537"
                           xFract="0.3184285"
                           y3="0.62586"
                           yFract="0.06977071"
                           z3="5.54478"
                           zFract="0.24984606"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.92445"
                           xFract="0.31759383"
                           y3="2.85292"
                           yFract="0.31804277"
                           z3="5.68433"
                           zFract="0.24903958"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.18804"
                           xFract="0.14129621"
                           y3="1.26433"
                           yFract="0.14094718"
                           z3="7.59745"
                           zFract="0.34979147"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="3.50961"
                           xFract="0.14027517"
                           y3="3.58321"
                           yFract="0.39945531"
                           z3="7.75666"
                           zFract="0.34961196"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="4.87465"
                           xFract="0.40103332"
                           y3="1.26366"
                           yFract="0.14087249"
                           z3="7.77989"
                           zFract="0.35064231"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.14114"
                           xFract="0.3974279"
                           y3="3.5332"
                           yFract="0.39388021"
                           z3="7.86517"
                           zFract="0.34721838"/>
                     <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="3.63689"
                           xFract="0.06953185"
                           y3="5.07871"
                           yFract="0.56617326"
                           z3="5.70063"
                           zFract="0.24980607"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.92531"
                           xFract="0.06825897"
                           y3="7.34442"
                           yFract="0.81875401"
                           z3="5.81937"
                           zFract="0.24790288"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.22266"
                           xFract="0.31861615"
                           y3="5.09434"
                           yFract="0.56791569"
                           z3="5.83499"
                           zFract="0.24865372"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.50918"
                           xFract="0.31806587"
                           y3="7.34373"
                           yFract="0.81867709"
                           z3="5.98451"
                           zFract="0.24823453"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.81398"
                           xFract="0.14376656"
                           y3="5.79089"
                           yFract="0.6455669"
                           z3="7.85391"
                           zFract="0.34674642"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.0849"
                           xFract="0.143688"
                           y3="8.00463"
                           yFract="0.89235405"
                           z3="8.01208"
                           zFract="0.34683962"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="7.39134"
                           xFract="0.39378713"
                           y3="5.77502"
                           yFract="0.64379771"
                           z3="8.02036"
                           zFract="0.34718397"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.68187"
                           xFract="0.39609728"
                           y3="7.97988"
                           yFract="0.88959493"
                           z3="8.14718"
                           zFract="0.34575728"/>
                     <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="6.21674"
                           xFract="0.56657561"
                           y3="0.6188"
                           yFract="0.06898366"
                           z3="5.68151"
                           zFract="0.24890893"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="7.5289"
                           xFract="0.5691191"
                           y3="2.85711"
                           yFract="0.31850987"
                           z3="5.80997"
                           zFract="0.24744129"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="8.81407"
                           xFract="0.81789852"
                           y3="0.61424"
                           yFract="0.06847531"
                           z3="5.83102"
                           zFract="0.24847125"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.10554"
                           xFract="0.81845424"
                           y3="2.85233"
                           yFract="0.317977"
                           z3="5.98932"
                           zFract="0.24847062"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.42069"
                           xFract="0.64588341"
                           y3="1.28638"
                           yFract="0.1434053"
                           z3="7.87649"
                           zFract="0.34781239"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="8.70042"
                           xFract="0.64454351"
                           y3="3.53817"
                           yFract="0.39443426"
                           z3="8.01945"
                           zFract="0.34709948"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="9.97451"
                           xFract="0.89269892"
                           y3="1.28725"
                           yFract="0.14350229"
                           z3="8.00705"
                           zFract="0.34659771"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.24405"
                           xFract="0.88976094"
                           y3="3.55008"
                           yFract="0.39576199"
                           z3="8.1508"
                           zFract="0.34593302"/>
                     <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="8.80836"
                           xFract="0.56839004"
                           y3="5.09743"
                           yFract="0.56826016"
                           z3="5.99593"
                           zFract="0.24877575"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="10.10218"
                           xFract="0.56874421"
                           y3="7.34324"
                           yFract="0.81862247"
                           z3="6.14741"
                           zFract="0.24843388"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="11.39994"
                           xFract="0.81872398"
                           y3="5.10067"
                           yFract="0.56862135"
                           z3="6.14578"
                           zFract="0.24835767"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.68962"
                           xFract="0.81868297"
                           y3="7.34639"
                           yFract="0.81897363"
                           z3="6.29974"
                           zFract="0.24814483"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.97508"
                           xFract="0.64362423"
                           y3="5.77356"
                           yFract="0.64363495"
                           z3="8.18155"
                           zFract="0.34733104"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="11.2758"
                           xFract="0.64627301"
                           y3="7.99006"
                           yFract="0.89072979"
                           z3="8.32503"
                           zFract="0.34664102"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="12.55701"
                           xFract="0.89230401"
                           y3="5.78979"
                           yFract="0.64544427"
                           z3="8.33045"
                           zFract="0.34687432"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.85397"
                           xFract="0.89406234"
                           y3="8.01578"
                           yFract="0.89359705"
                           z3="8.48665"
                           zFract="0.34677904"/>
                     <atom elementType="Cl"
                           id="a65"
                           x3="3.37785"
                           xFract="0.21705425"
                           y3="1.97122"
                           yFract="0.21975109"
                           z3="9.57207"
                           zFract="0.4382802"/>
                     <atom elementType="H"
                           id="a66"
                           x3="6.22675"
                           xFract="0.49615298"
                           y3="1.90439"
                           yFract="0.2123009"
                           z3="8.81686"
                           zFract="0.39456343"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a4" 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 a8" order="S"/>
                     <bond atomRefs2="a4 a19" 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 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a27" 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 a42" 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 a27" order="S"/>
                     <bond atomRefs2="a8 a42" 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 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a25" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a41" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a42" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a27" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a65" order="S"/>
                     <bond atomRefs2="a14 a29" order="S"/>
                     <bond atomRefs2="a14 a25" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a66" order="S"/>
                     <bond atomRefs2="a15 a45" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a16 a42" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a31" order="S"/>
                     <bond atomRefs2="a16 a27" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a46" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a19" 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 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a27" 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 a58" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a42" order="S"/>
                     <bond atomRefs2="a27 a57" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a58" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a61" order="S"/>
                     <bond atomRefs2="a31 a46" order="S"/>
                     <bond atomRefs2="a31 a57" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a62" order="S"/>
                     <bond atomRefs2="a32 a58" 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 a43" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a42" 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 a59" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a59" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a57" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a44 a59" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a45 a66" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a46 a61" order="S"/>
                     <bond atomRefs2="a46 a57" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a48 a59" order="S"/>
                     <bond atomRefs2="a48 a63" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                  </bondArray>
                  <formula concise="HClCu64">
                     <atomArray count="1 1 64" elementType="H Cl Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4102.396999999995</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="1.08565"
                           xFract="0.07029632"
                           y3="0.62393"
                           yFract="0.06955555"
                           z3="5.3805"
                           zFract="0.24951368"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="2.35613"
                           xFract="0.06936337"
                           y3="2.85229"
                           yFract="0.31797254"
                           z3="5.53851"
                           zFract="0.2495762"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="3.66018"
                           xFract="0.31894216"
                           y3="0.62789"
                           yFract="0.06999701"
                           z3="5.5529"
                           zFract="0.25020682"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.9224"
                           xFract="0.31724685"
                           y3="2.8556"
                           yFract="0.31834154"
                           z3="5.67242"
                           zFract="0.24847947"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.19254"
                           xFract="0.14166512"
                           y3="1.26552"
                           yFract="0.14107984"
                           z3="7.6023"
                           zFract="0.35000517"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="3.50247"
                           xFract="0.13956333"
                           y3="3.5836"
                           yFract="0.39949879"
                           z3="7.75731"
                           zFract="0.34966256"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="4.89165"
                           xFract="0.40252834"
                           y3="1.26633"
                           yFract="0.14117014"
                           z3="7.80955"
                           zFract="0.35198726"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.14277"
                           xFract="0.39890155"
                           y3="3.5095"
                           yFract="0.39123814"
                           z3="7.90015"
                           zFract="0.34890255"/>
                     <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="3.63638"
                           xFract="0.06942091"
                           y3="5.07982"
                           yFract="0.566297"
                           z3="5.7015"
                           zFract="0.24984671"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.92663"
                           xFract="0.0684421"
                           y3="7.34342"
                           yFract="0.81864253"
                           z3="5.81624"
                           zFract="0.24775316"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.22331"
                           xFract="0.31914988"
                           y3="5.08586"
                           yFract="0.56697034"
                           z3="5.84334"
                           zFract="0.24905971"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.50782"
                           xFract="0.31786277"
                           y3="7.34502"
                           yFract="0.8188209"
                           z3="5.98222"
                           zFract="0.24812833"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.81441"
                           xFract="0.14390974"
                           y3="5.78906"
                           yFract="0.64536289"
                           z3="7.85217"
                           zFract="0.34666619"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.0844"
                           xFract="0.14364633"
                           y3="8.00451"
                           yFract="0.89234067"
                           z3="8.0140"
                           zFract="0.34693179"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="7.39115"
                           xFract="0.39372767"
                           y3="5.77576"
                           yFract="0.64388021"
                           z3="8.01765"
                           zFract="0.34705551"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.68214"
                           xFract="0.39607285"
                           y3="7.98079"
                           yFract="0.88969637"
                           z3="8.14489"
                           zFract="0.34564701"/>
                     <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="6.21819"
                           xFract="0.56704396"
                           y3="0.61289"
                           yFract="0.06832482"
                           z3="5.66007"
                           zFract="0.24790373"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="7.53565"
                           xFract="0.56952891"
                           y3="2.86148"
                           yFract="0.31899704"
                           z3="5.78828"
                           zFract="0.24639184"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="8.80367"
                           xFract="0.816615"
                           y3="0.61925"
                           yFract="0.06903383"
                           z3="5.84202"
                           zFract="0.24901154"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.10233"
                           xFract="0.81825667"
                           y3="2.8503"
                           yFract="0.3177507"
                           z3="5.99279"
                           zFract="0.24864688"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.41898"
                           xFract="0.64579086"
                           y3="1.28507"
                           yFract="0.14325927"
                           z3="7.90221"
                           zFract="0.3490322"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="8.71314"
                           xFract="0.64534994"
                           y3="3.54579"
                           yFract="0.39528374"
                           z3="8.01568"
                           zFract="0.3468723"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="9.97622"
                           xFract="0.89291586"
                           y3="1.28632"
                           yFract="0.14339862"
                           z3="8.00271"
                           zFract="0.3463897"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.24361"
                           xFract="0.88981114"
                           y3="3.54841"
                           yFract="0.39557582"
                           z3="8.15229"
                           zFract="0.34600733"/>
                     <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="8.80658"
                           xFract="0.56830016"
                           y3="5.09595"
                           yFract="0.56809517"
                           z3="5.99843"
                           zFract="0.24890123"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="10.10245"
                           xFract="0.56872811"
                           y3="7.3440"
                           yFract="0.81870719"
                           z3="6.15079"
                           zFract="0.2485912"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="11.40098"
                           xFract="0.81883951"
                           y3="5.1004"
                           yFract="0.56859125"
                           z3="6.14707"
                           zFract="0.24841594"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.68971"
                           xFract="0.81852618"
                           y3="7.34937"
                           yFract="0.81930584"
                           z3="6.3027"
                           zFract="0.24827916"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.97404"
                           xFract="0.64349593"
                           y3="5.77406"
                           yFract="0.64369069"
                           z3="8.18271"
                           zFract="0.3473879"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="11.27525"
                           xFract="0.6470156"
                           y3="7.97573"
                           yFract="0.88913229"
                           z3="8.3201"
                           zFract="0.34643409"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="12.55773"
                           xFract="0.89236195"
                           y3="5.7900"
                           yFract="0.64546768"
                           z3="8.33206"
                           zFract="0.3469478"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.85568"
                           xFract="0.8942815"
                           y3="8.01481"
                           yFract="0.89348891"
                           z3="8.48229"
                           zFract="0.34657015"/>
                     <atom elementType="Cl"
                           id="a65"
                           x3="3.3383"
                           xFract="0.21290575"
                           y3="1.97708"
                           yFract="0.22040436"
                           z3="9.57334"
                           zFract="0.43844441"/>
                     <atom elementType="H"
                           id="a66"
                           x3="6.2323"
                           xFract="0.49556163"
                           y3="1.9247"
                           yFract="0.21456505"
                           z3="8.77102"
                           zFract="0.39235216"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a4" 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 a8" order="S"/>
                     <bond atomRefs2="a4 a19" 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 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a27" 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 a42" 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 a27" order="S"/>
                     <bond atomRefs2="a8 a42" 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 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a25" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a41" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a42" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a27" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a65" order="S"/>
                     <bond atomRefs2="a14 a29" order="S"/>
                     <bond atomRefs2="a14 a25" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a66" order="S"/>
                     <bond atomRefs2="a15 a45" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a16 a66" order="S"/>
                     <bond atomRefs2="a16 a42" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a31" order="S"/>
                     <bond atomRefs2="a16 a27" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a46" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a19" 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 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a27" 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 a58" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a42" order="S"/>
                     <bond atomRefs2="a27 a57" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a58" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a57" order="S"/>
                     <bond atomRefs2="a31 a61" order="S"/>
                     <bond atomRefs2="a31 a46" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a62" order="S"/>
                     <bond atomRefs2="a32 a58" 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 a43" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a42" 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 a59" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a59" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a42 a57" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a59" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a45 a66" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a57" order="S"/>
                     <bond atomRefs2="a46 a61" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a48 a59" order="S"/>
                     <bond atomRefs2="a48 a63" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                  </bondArray>
                  <formula concise="HClCu64">
                     <atomArray count="1 1 64" elementType="H Cl Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4102.396999999995</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="1.08478"
                           xFract="0.07018946"
                           y3="0.62434"
                           yFract="0.06960126"
                           z3="5.38172"
                           zFract="0.24957303"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="2.3568"
                           xFract="0.06943202"
                           y3="2.85222"
                           yFract="0.31796474"
                           z3="5.53844"
                           zFract="0.24957108"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="3.65745"
                           xFract="0.31872546"
                           y3="0.62704"
                           yFract="0.06990225"
                           z3="5.54947"
                           zFract="0.2500544"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.92327"
                           xFract="0.31739369"
                           y3="2.85447"
                           yFract="0.31821557"
                           z3="5.67745"
                           zFract="0.24871601"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.19064"
                           xFract="0.14150922"
                           y3="1.26502"
                           yFract="0.1410241"
                           z3="7.60025"
                           zFract="0.34991483"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="3.50549"
                           xFract="0.13986414"
                           y3="3.58344"
                           yFract="0.39948095"
                           z3="7.75703"
                           zFract="0.34964091"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="4.88447"
                           xFract="0.40189704"
                           y3="1.2652"
                           yFract="0.14104416"
                           z3="7.79703"
                           zFract="0.35141955"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.14209"
                           xFract="0.3982805"
                           y3="3.5195"
                           yFract="0.39235294"
                           z3="7.88538"
                           zFract="0.34819141"/>
                     <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="3.63659"
                           xFract="0.06946731"
                           y3="5.07935"
                           yFract="0.5662446"
                           z3="5.70113"
                           zFract="0.24982945"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.92607"
                           xFract="0.06836464"
                           y3="7.34384"
                           yFract="0.81868936"
                           z3="5.81756"
                           zFract="0.24781631"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.22304"
                           xFract="0.31892498"
                           y3="5.08944"
                           yFract="0.56736943"
                           z3="5.83982"
                           zFract="0.24888854"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.50839"
                           xFract="0.31794841"
                           y3="7.34447"
                           yFract="0.81875959"
                           z3="5.98318"
                           zFract="0.24817286"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.81423"
                           xFract="0.14384959"
                           y3="5.78983"
                           yFract="0.64544873"
                           z3="7.85291"
                           zFract="0.34670032"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.08461"
                           xFract="0.14366385"
                           y3="8.00456"
                           yFract="0.89234625"
                           z3="8.01319"
                           zFract="0.34689291"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="7.39123"
                           xFract="0.39375262"
                           y3="5.77545"
                           yFract="0.64384565"
                           z3="8.01879"
                           zFract="0.34710954"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.68203"
                           xFract="0.39608332"
                           y3="7.98041"
                           yFract="0.88965401"
                           z3="8.14586"
                           zFract="0.3456937"/>
                     <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="6.21758"
                           xFract="0.56684617"
                           y3="0.61539"
                           yFract="0.06860352"
                           z3="5.66912"
                           zFract="0.24832802"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="7.5328"
                           xFract="0.5693556"
                           y3="2.85964"
                           yFract="0.31879192"
                           z3="5.79744"
                           zFract="0.24683502"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="8.80806"
                           xFract="0.81715708"
                           y3="0.61713"
                           yFract="0.06879749"
                           z3="5.83738"
                           zFract="0.24878364"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.10368"
                           xFract="0.81833941"
                           y3="2.85116"
                           yFract="0.31784657"
                           z3="5.99132"
                           zFract="0.24857224"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.41971"
                           xFract="0.64583089"
                           y3="1.28562"
                           yFract="0.14332058"
                           z3="7.89135"
                           zFract="0.34851713"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="8.70777"
                           xFract="0.64500966"
                           y3="3.54257"
                           yFract="0.39492477"
                           z3="8.01727"
                           zFract="0.34696814"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="9.9755"
                           xFract="0.8928246"
                           y3="1.28671"
                           yFract="0.14344209"
                           z3="8.00454"
                           zFract="0.34647741"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.2438"
                           xFract="0.88979008"
                           y3="3.54912"
                           yFract="0.39565497"
                           z3="8.15166"
                           zFract="0.34597589"/>
                     <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="8.80733"
                           xFract="0.56833823"
                           y3="5.09657"
                           yFract="0.56816429"
                           z3="5.99737"
                           zFract="0.24884805"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="10.10234"
                           xFract="0.56873524"
                           y3="7.34368"
                           yFract="0.81867152"
                           z3="6.14936"
                           zFract="0.24852463"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="11.40054"
                           xFract="0.81879031"
                           y3="5.10052"
                           yFract="0.56860463"
                           z3="6.14653"
                           zFract="0.24839155"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.68967"
                           xFract="0.81859173"
                           y3="7.34812"
                           yFract="0.81916649"
                           z3="6.30145"
                           zFract="0.24822242"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.97448"
                           xFract="0.64355013"
                           y3="5.77385"
                           yFract="0.64366728"
                           z3="8.18222"
                           zFract="0.34736387"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="11.27548"
                           xFract="0.64670187"
                           y3="7.98178"
                           yFract="0.88980674"
                           z3="8.32218"
                           zFract="0.34652139"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="12.55742"
                           xFract="0.89233698"
                           y3="5.78991"
                           yFract="0.64545765"
                           z3="8.33138"
                           zFract="0.34691678"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.85496"
                           xFract="0.89418914"
                           y3="8.01522"
                           yFract="0.89353462"
                           z3="8.48413"
                           zFract="0.3466583"/>
                     <atom elementType="Cl"
                           id="a65"
                           x3="3.3550"
                           xFract="0.21465721"
                           y3="1.97461"
                           yFract="0.220129"
                           z3="9.5728"
                           zFract="0.43837489"/>
                     <atom elementType="H"
                           id="a66"
                           x3="6.22995"
                           xFract="0.49581037"
                           y3="1.91613"
                           yFract="0.21360967"
                           z3="8.79037"
                           zFract="0.3932856"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a4" 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 a8" order="S"/>
                     <bond atomRefs2="a4 a19" 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 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a27" 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 a42" 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 a27" order="S"/>
                     <bond atomRefs2="a8 a42" 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 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a25" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a41" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a42" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a27" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a65" order="S"/>
                     <bond atomRefs2="a14 a29" order="S"/>
                     <bond atomRefs2="a14 a25" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a66" order="S"/>
                     <bond atomRefs2="a15 a45" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a16 a66" order="S"/>
                     <bond atomRefs2="a16 a42" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a31" order="S"/>
                     <bond atomRefs2="a16 a27" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a46" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a19" 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 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a27" 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 a58" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a42" order="S"/>
                     <bond atomRefs2="a27 a57" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a58" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a57" order="S"/>
                     <bond atomRefs2="a31 a61" order="S"/>
                     <bond atomRefs2="a31 a46" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a62" order="S"/>
                     <bond atomRefs2="a32 a58" 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 a43" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a42" 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 a59" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a59" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a42 a57" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a59" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a45 a66" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a57" order="S"/>
                     <bond atomRefs2="a46 a61" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a48 a59" order="S"/>
                     <bond atomRefs2="a48 a63" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                  </bondArray>
                  <formula concise="HClCu64">
                     <atomArray count="1 1 64" elementType="H Cl Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4102.396999999995</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="1.08577"
                           xFract="0.07029626"
                           y3="0.62414"
                           yFract="0.06957896"
                           z3="5.38154"
                           zFract="0.24956202"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="2.35588"
                           xFract="0.06936585"
                           y3="2.85181"
                           yFract="0.31791903"
                           z3="5.53845"
                           zFract="0.24957489"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="3.6598"
                           xFract="0.31886655"
                           y3="0.62859"
                           yFract="0.07007505"
                           z3="5.55345"
                           zFract="0.25023268"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.92402"
                           xFract="0.31746564"
                           y3="2.85448"
                           yFract="0.31821668"
                           z3="5.67863"
                           zFract="0.24876946"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.19159"
                           xFract="0.14164714"
                           y3="1.26419"
                           yFract="0.14093157"
                           z3="7.60037"
                           zFract="0.34991914"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="3.50463"
                           xFract="0.13977323"
                           y3="3.58358"
                           yFract="0.39949656"
                           z3="7.75628"
                           zFract="0.3496078"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="4.88503"
                           xFract="0.40211333"
                           y3="1.26228"
                           yFract="0.14071864"
                           z3="7.80212"
                           zFract="0.3516628"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.14419"
                           xFract="0.39859345"
                           y3="3.51752"
                           yFract="0.39213221"
                           z3="7.89166"
                           zFract="0.34848476"/>
                     <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="3.63629"
                           xFract="0.06941221"
                           y3="5.07982"
                           yFract="0.566297"
                           z3="5.70141"
                           zFract="0.24984273"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.92656"
                           xFract="0.06841923"
                           y3="7.34371"
                           yFract="0.81867486"
                           z3="5.81682"
                           zFract="0.24778023"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.22292"
                           xFract="0.31915938"
                           y3="5.08501"
                           yFract="0.56687558"
                           z3="5.84455"
                           zFract="0.2491193"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.50812"
                           xFract="0.31791176"
                           y3="7.34466"
                           yFract="0.81878077"
                           z3="5.9826"
                           zFract="0.24814598"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.81518"
                           xFract="0.14406747"
                           y3="5.78756"
                           yFract="0.64519567"
                           z3="7.85259"
                           zFract="0.34668628"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.0847"
                           xFract="0.14366977"
                           y3="8.00461"
                           yFract="0.89235182"
                           z3="8.01315"
                           zFract="0.34689068"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="7.39012"
                           xFract="0.39371196"
                           y3="5.77425"
                           yFract="0.64371187"
                           z3="8.01808"
                           zFract="0.34708127"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.68236"
                           xFract="0.39605913"
                           y3="7.98142"
                           yFract="0.88976661"
                           z3="8.1457"
                           zFract="0.34568351"/>
                     <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="6.21778"
                           xFract="0.56684718"
                           y3="0.61572"
                           yFract="0.0686403"
                           z3="5.66856"
                           zFract="0.24830048"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="7.53214"
                           xFract="0.56926903"
                           y3="2.86005"
                           yFract="0.31883762"
                           z3="5.79738"
                           zFract="0.24683341"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="8.80505"
                           xFract="0.81679504"
                           y3="0.61841"
                           yFract="0.06894018"
                           z3="5.84029"
                           zFract="0.24892739"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.10414"
                           xFract="0.81841997"
                           y3="2.85051"
                           yFract="0.31777411"
                           z3="5.99126"
                           zFract="0.24856917"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.43189"
                           xFract="0.64740531"
                           y3="1.27847"
                           yFract="0.1425235"
                           z3="7.88881"
                           zFract="0.34837417"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="8.71026"
                           xFract="0.6451665"
                           y3="3.54408"
                           yFract="0.39509311"
                           z3="8.01541"
                           zFract="0.34687073"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="9.97615"
                           xFract="0.89292409"
                           y3="1.28605"
                           yFract="0.14336852"
                           z3="8.0037"
                           zFract="0.34643703"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.24439"
                           xFract="0.88985878"
                           y3="3.54891"
                           yFract="0.39563156"
                           z3="8.15218"
                           zFract="0.34599905"/>
                     <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="8.80736"
                           xFract="0.56828948"
                           y3="5.0975"
                           yFract="0.56826796"
                           z3="5.99713"
                           zFract="0.24883509"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="10.10162"
                           xFract="0.56871618"
                           y3="7.34277"
                           yFract="0.81857007"
                           z3="6.14911"
                           zFract="0.24851644"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="11.40056"
                           xFract="0.81879336"
                           y3="5.1005"
                           yFract="0.5686024"
                           z3="6.14717"
                           zFract="0.2484217"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.69047"
                           xFract="0.81867128"
                           y3="7.34808"
                           yFract="0.81916203"
                           z3="6.30109"
                           zFract="0.24820321"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.97423"
                           xFract="0.64353373"
                           y3="5.77371"
                           yFract="0.64365167"
                           z3="8.18293"
                           zFract="0.34739831"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="11.27528"
                           xFract="0.64680137"
                           y3="7.97964"
                           yFract="0.88956817"
                           z3="8.32026"
                           zFract="0.34643502"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="12.55787"
                           xFract="0.89241547"
                           y3="5.78928"
                           yFract="0.64538741"
                           z3="8.33198"
                           zFract="0.34694482"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.85555"
                           xFract="0.89426116"
                           y3="8.01495"
                           yFract="0.89350452"
                           z3="8.48333"
                           zFract="0.34661933"/>
                     <atom elementType="Cl"
                           id="a65"
                           x3="3.3388"
                           xFract="0.21293632"
                           y3="1.9774"
                           yFract="0.22044003"
                           z3="9.57465"
                           zFract="0.4385042"/>
                     <atom elementType="H"
                           id="a66"
                           x3="6.22393"
                           xFract="0.49442325"
                           y3="1.93063"
                           yFract="0.21522613"
                           z3="8.78472"
                           zFract="0.39301236"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a4" 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 a8" order="S"/>
                     <bond atomRefs2="a4 a19" 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 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a27" 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 a42" 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 a27" order="S"/>
                     <bond atomRefs2="a8 a42" 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 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a25" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a41" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a42" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a27" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a65" order="S"/>
                     <bond atomRefs2="a14 a29" order="S"/>
                     <bond atomRefs2="a14 a25" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a66" order="S"/>
                     <bond atomRefs2="a15 a45" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a16 a66" order="S"/>
                     <bond atomRefs2="a16 a42" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a31" order="S"/>
                     <bond atomRefs2="a16 a27" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a46" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a19" 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 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a27" 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 a58" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a42" order="S"/>
                     <bond atomRefs2="a27 a57" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a58" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a57" order="S"/>
                     <bond atomRefs2="a31 a61" order="S"/>
                     <bond atomRefs2="a31 a46" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a62" order="S"/>
                     <bond atomRefs2="a32 a58" 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 a43" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a42" 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 a59" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a59" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a42 a57" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a59" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a45 a66" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a57" order="S"/>
                     <bond atomRefs2="a46 a61" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a48 a59" order="S"/>
                     <bond atomRefs2="a48 a63" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                  </bondArray>
                  <formula concise="HClCu64">
                     <atomArray count="1 1 64" elementType="H Cl Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4102.396999999995</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="1.0879"
                           xFract="0.07052603"
                           y3="0.62371"
                           yFract="0.06953103"
                           z3="5.38113"
                           zFract="0.24953726"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="2.35391"
                           xFract="0.06922429"
                           y3="2.85093"
                           yFract="0.31782093"
                           z3="5.53847"
                           zFract="0.24958299"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="3.66485"
                           xFract="0.31916868"
                           y3="0.63194"
                           yFract="0.07044851"
                           z3="5.56198"
                           zFract="0.2506147"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.92563"
                           xFract="0.3176196"
                           y3="2.85451"
                           yFract="0.31822003"
                           z3="5.68117"
                           zFract="0.24888453"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.19363"
                           xFract="0.14194319"
                           y3="1.26241"
                           yFract="0.14073314"
                           z3="7.60064"
                           zFract="0.34992895"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="3.50281"
                           xFract="0.1395812"
                           y3="3.58387"
                           yFract="0.39952889"
                           z3="7.75466"
                           zFract="0.34953618"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="4.88624"
                           xFract="0.40257847"
                           y3="1.25601"
                           yFract="0.14001967"
                           z3="7.81305"
                           zFract="0.35218513"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.14869"
                           xFract="0.39926445"
                           y3="3.51327"
                           yFract="0.39165842"
                           z3="7.90513"
                           zFract="0.34911397"/>
                     <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="3.63564"
                           xFract="0.0692944"
                           y3="5.08081"
                           yFract="0.56640736"
                           z3="5.70199"
                           zFract="0.2498703"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.92761"
                           xFract="0.06853683"
                           y3="7.34342"
                           yFract="0.81864253"
                           z3="5.81524"
                           zFract="0.24770319"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.22267"
                           xFract="0.31966221"
                           y3="5.07552"
                           yFract="0.56581764"
                           z3="5.85469"
                           zFract="0.24961397"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.50754"
                           xFract="0.31783404"
                           y3="7.34505"
                           yFract="0.81882425"
                           z3="5.98135"
                           zFract="0.24808806"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.81721"
                           xFract="0.14453358"
                           y3="5.7827"
                           yFract="0.64465388"
                           z3="7.85192"
                           zFract="0.34665695"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.08489"
                           xFract="0.14368259"
                           y3="8.00471"
                           yFract="0.89236297"
                           z3="8.01307"
                           zFract="0.3468862"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="7.38775"
                           xFract="0.39362558"
                           y3="5.77168"
                           yFract="0.64342537"
                           z3="8.01656"
                           zFract="0.34702074"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.68308"
                           xFract="0.39600767"
                           y3="7.9836"
                           yFract="0.89000963"
                           z3="8.14536"
                           zFract="0.34566176"/>
                     <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="6.21821"
                           xFract="0.56684987"
                           y3="0.61642"
                           yFract="0.06871834"
                           z3="5.66737"
                           zFract="0.24824197"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="7.53072"
                           xFract="0.5690829"
                           y3="2.86093"
                           yFract="0.31893573"
                           z3="5.79724"
                           zFract="0.24682944"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="8.7986"
                           xFract="0.81602051"
                           y3="0.62113"
                           yFract="0.06924341"
                           z3="5.84654"
                           zFract="0.24923614"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.10513"
                           xFract="0.81859286"
                           y3="2.84912"
                           yFract="0.31761915"
                           z3="5.99113"
                           zFract="0.24856251"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.45801"
                           xFract="0.65078203"
                           y3="1.26313"
                           yFract="0.1408134"
                           z3="7.88335"
                           zFract="0.34806698"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="8.71561"
                           xFract="0.64550429"
                           y3="3.54731"
                           yFract="0.39545319"
                           z3="8.0114"
                           zFract="0.34666083"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="9.97755"
                           xFract="0.89313883"
                           y3="1.28462"
                           yFract="0.1432091"
                           z3="8.00191"
                           zFract="0.34635098"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.24565"
                           xFract="0.89000501"
                           y3="3.54847"
                           yFract="0.3955825"
                           z3="8.15327"
                           zFract="0.34604755"/>
                     <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="8.80742"
                           xFract="0.56818533"
                           y3="5.09948"
                           yFract="0.56848869"
                           z3="5.9966"
                           zFract="0.24880662"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="10.10008"
                           xFract="0.5686756"
                           y3="7.34082"
                           yFract="0.81835269"
                           z3="6.14858"
                           zFract="0.24849915"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="11.40059"
                           xFract="0.81879848"
                           y3="5.10046"
                           yFract="0.56859794"
                           z3="6.14856"
                           zFract="0.24848722"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.69218"
                           xFract="0.81883991"
                           y3="7.34802"
                           yFract="0.81915534"
                           z3="6.30031"
                           zFract="0.2481616"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.97371"
                           xFract="0.64350068"
                           y3="5.7734"
                           yFract="0.64361712"
                           z3="8.18446"
                           zFract="0.34747246"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="11.27485"
                           xFract="0.6470147"
                           y3="7.97505"
                           yFract="0.88905648"
                           z3="8.31613"
                           zFract="0.3462492"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="12.55884"
                           xFract="0.8925842"
                           y3="5.78793"
                           yFract="0.64523692"
                           z3="8.33325"
                           zFract="0.34700416"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.85682"
                           xFract="0.89441614"
                           y3="8.01437"
                           yFract="0.89343986"
                           z3="8.48162"
                           zFract="0.34653601"/>
                     <atom elementType="Cl"
                           id="a65"
                           x3="3.30408"
                           xFract="0.20924805"
                           y3="1.98338"
                           yFract="0.22110668"
                           z3="9.5786"
                           zFract="0.43878064"/>
                     <atom elementType="H"
                           id="a66"
                           x3="6.21101"
                           xFract="0.49144677"
                           y3="1.96174"
                           yFract="0.21869426"
                           z3="8.7726"
                           zFract="0.39242623"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a4" 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 a8" order="S"/>
                     <bond atomRefs2="a4 a19" 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 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a27" 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 a42" 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 a27" order="S"/>
                     <bond atomRefs2="a8 a42" 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 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a25" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a41" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a42" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a27" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a65" order="S"/>
                     <bond atomRefs2="a14 a29" order="S"/>
                     <bond atomRefs2="a14 a25" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a66" order="S"/>
                     <bond atomRefs2="a15 a45" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a16 a66" order="S"/>
                     <bond atomRefs2="a16 a42" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a31" order="S"/>
                     <bond atomRefs2="a16 a27" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a46" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a19" 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 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a27" 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 a58" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a42" order="S"/>
                     <bond atomRefs2="a27 a57" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a58" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a57" order="S"/>
                     <bond atomRefs2="a31 a61" order="S"/>
                     <bond atomRefs2="a31 a46" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a62" order="S"/>
                     <bond atomRefs2="a32 a58" 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 a43" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a42" 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 a59" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a59" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a42 a57" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a59" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a45 a66" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a57" order="S"/>
                     <bond atomRefs2="a46 a61" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a48 a59" order="S"/>
                     <bond atomRefs2="a48 a63" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                  </bondArray>
                  <formula concise="HClCu64">
                     <atomArray count="1 1 64" elementType="H Cl Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4102.396999999995</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="1.08816"
                           xFract="0.07055394"
                           y3="0.62366"
                           yFract="0.06952545"
                           z3="5.38108"
                           zFract="0.24953424"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="2.35366"
                           xFract="0.06920623"
                           y3="2.85082"
                           yFract="0.31780867"
                           z3="5.53848"
                           zFract="0.24958437"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="3.66549"
                           xFract="0.31920722"
                           y3="0.63236"
                           yFract="0.07049533"
                           z3="5.56306"
                           zFract="0.25066307"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.92583"
                           xFract="0.31763893"
                           y3="2.85451"
                           yFract="0.31822003"
                           z3="5.68149"
                           zFract="0.24889904"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.19388"
                           xFract="0.14198012"
                           y3="1.26218"
                           yFract="0.1407075"
                           z3="7.60067"
                           zFract="0.34993003"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="3.50257"
                           xFract="0.13955578"
                           y3="3.58391"
                           yFract="0.39953335"
                           z3="7.75445"
                           zFract="0.34952691"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="4.8864"
                           xFract="0.40263781"
                           y3="1.25522"
                           yFract="0.1399316"
                           z3="7.81444"
                           zFract="0.35225152"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.14926"
                           xFract="0.39934953"
                           y3="3.51273"
                           yFract="0.39159822"
                           z3="7.90684"
                           zFract="0.34919386"/>
                     <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="3.63556"
                           xFract="0.06928001"
                           y3="5.08093"
                           yFract="0.56642074"
                           z3="5.70207"
                           zFract="0.2498741"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.92774"
                           xFract="0.06855161"
                           y3="7.34338"
                           yFract="0.81863807"
                           z3="5.81504"
                           zFract="0.24769345"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.22264"
                           xFract="0.31972595"
                           y3="5.07432"
                           yFract="0.56568386"
                           z3="5.85598"
                           zFract="0.24967688"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.50746"
                           xFract="0.31782353"
                           y3="7.3451"
                           yFract="0.81882982"
                           z3="5.98119"
                           zFract="0.24808067"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.81747"
                           xFract="0.14459314"
                           y3="5.78208"
                           yFract="0.64458476"
                           z3="7.85184"
                           zFract="0.34665346"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.08491"
                           xFract="0.14368397"
                           y3="8.00472"
                           yFract="0.89236408"
                           z3="8.01306"
                           zFract="0.34688565"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="7.38745"
                           xFract="0.39361491"
                           y3="5.77135"
                           yFract="0.64338858"
                           z3="8.01637"
                           zFract="0.3470132"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.68317"
                           xFract="0.39600082"
                           y3="7.98388"
                           yFract="0.89004085"
                           z3="8.14532"
                           zFract="0.34565915"/>
                     <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="6.21826"
                           xFract="0.56684971"
                           y3="0.61651"
                           yFract="0.06872837"
                           z3="5.66722"
                           zFract="0.2482346"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="7.53054"
                           xFract="0.56905939"
                           y3="2.86104"
                           yFract="0.31894799"
                           z3="5.79722"
                           zFract="0.24682883"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="8.79778"
                           xFract="0.81592181"
                           y3="0.62148"
                           yFract="0.06928243"
                           z3="5.84734"
                           zFract="0.24927565"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.10525"
                           xFract="0.81861445"
                           y3="2.84894"
                           yFract="0.31759908"
                           z3="5.99112"
                           zFract="0.24856199"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.46132"
                           xFract="0.65121028"
                           y3="1.26118"
                           yFract="0.14059602"
                           z3="7.88266"
                           zFract="0.34802815"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="8.71628"
                           xFract="0.64554629"
                           y3="3.54772"
                           yFract="0.39549889"
                           z3="8.01089"
                           zFract="0.34663417"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="9.97772"
                           xFract="0.89316525"
                           y3="1.28444"
                           yFract="0.14318903"
                           z3="8.00168"
                           zFract="0.34633995"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.24581"
                           xFract="0.89002381"
                           y3="3.54841"
                           yFract="0.39557582"
                           z3="8.15341"
                           zFract="0.34605379"/>
                     <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="0.56817186"
                           y3="5.09974"
                           yFract="0.56851768"
                           z3="5.99653"
                           zFract="0.24880286"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="10.09989"
                           xFract="0.56867112"
                           y3="7.34057"
                           yFract="0.81832482"
                           z3="6.14852"
                           zFract="0.24849728"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="11.40059"
                           xFract="0.81879848"
                           y3="5.10046"
                           yFract="0.56859794"
                           z3="6.14874"
                           zFract="0.2484957"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.69239"
                           xFract="0.81886077"
                           y3="7.34801"
                           yFract="0.81915423"
                           z3="6.30022"
                           zFract="0.24815676"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.97364"
                           xFract="0.64349614"
                           y3="5.77336"
                           yFract="0.64361266"
                           z3="8.18465"
                           zFract="0.34748169"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="11.27479"
                           xFract="0.6470411"
                           y3="7.97447"
                           yFract="0.88899182"
                           z3="8.31561"
                           zFract="0.34622582"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="12.55896"
                           xFract="0.89260524"
                           y3="5.78776"
                           yFract="0.64521797"
                           z3="8.33341"
                           zFract="0.34701164"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.85698"
                           xFract="0.89443549"
                           y3="8.0143"
                           yFract="0.89343206"
                           z3="8.4814"
                           zFract="0.34652529"/>
                     <atom elementType="Cl"
                           id="a65"
                           x3="3.29967"
                           xFract="0.20877955"
                           y3="1.98414"
                           yFract="0.22119141"
                           z3="9.57911"
                           zFract="0.43881614"/>
                     <atom elementType="H"
                           id="a66"
                           x3="6.20937"
                           xFract="0.49106889"
                           y3="1.96569"
                           yFract="0.21913461"
                           z3="8.77107"
                           zFract="0.39235223"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a4" 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 a8" order="S"/>
                     <bond atomRefs2="a4 a19" 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 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a27" 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 a42" 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 a27" order="S"/>
                     <bond atomRefs2="a8 a42" 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 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a25" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a41" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a42" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a27" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a65" order="S"/>
                     <bond atomRefs2="a14 a29" order="S"/>
                     <bond atomRefs2="a14 a25" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a66" order="S"/>
                     <bond atomRefs2="a15 a45" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a16 a66" order="S"/>
                     <bond atomRefs2="a16 a42" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a31" order="S"/>
                     <bond atomRefs2="a16 a27" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a46" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a19" 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 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a27" 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 a58" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a42" order="S"/>
                     <bond atomRefs2="a27 a57" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a58" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a57" order="S"/>
                     <bond atomRefs2="a31 a61" order="S"/>
                     <bond atomRefs2="a31 a46" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a62" order="S"/>
                     <bond atomRefs2="a32 a58" 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 a43" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a42" 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 a59" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a59" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a42 a57" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a59" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a45 a66" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a57" order="S"/>
                     <bond atomRefs2="a46 a61" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a48 a59" order="S"/>
                     <bond atomRefs2="a48 a63" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                  </bondArray>
                  <formula concise="HClCu64">
                     <atomArray count="1 1 64" elementType="H Cl Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4102.396999999995</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="1.08904"
                           xFract="0.07066067"
                           y3="0.62327"
                           yFract="0.06948198"
                           z3="5.38139"
                           zFract="0.24954697"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="2.35363"
                           xFract="0.0692211"
                           y3="2.8505"
                           yFract="0.31777299"
                           z3="5.53813"
                           zFract="0.24956848"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="3.66648"
                           xFract="0.31921962"
                           y3="0.63386"
                           yFract="0.07066255"
                           z3="5.56481"
                           zFract="0.25074022"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.92658"
                           xFract="0.31775863"
                           y3="2.85366"
                           yFract="0.31812527"
                           z3="5.68744"
                           zFract="0.24917883"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.19333"
                           xFract="0.14202636"
                           y3="1.26039"
                           yFract="0.14050795"
                           z3="7.59935"
                           zFract="0.34987237"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="3.50424"
                           xFract="0.13980772"
                           y3="3.58228"
                           yFract="0.39935163"
                           z3="7.75372"
                           zFract="0.34949039"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="4.88533"
                           xFract="0.40270652"
                           y3="1.25212"
                           yFract="0.13958601"
                           z3="7.81548"
                           zFract="0.35230882"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.15221"
                           xFract="0.3995153"
                           y3="3.51488"
                           yFract="0.3918379"
                           z3="7.90594"
                           zFract="0.34913932"/>
                     <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="3.63541"
                           xFract="0.06927606"
                           y3="5.08074"
                           yFract="0.56639956"
                           z3="5.7017"
                           zFract="0.2498574"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.92861"
                           xFract="0.06865237"
                           y3="7.34308"
                           yFract="0.81860463"
                           z3="5.81521"
                           zFract="0.24769945"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.22264"
                           xFract="0.31984589"
                           y3="5.07216"
                           yFract="0.56544307"
                           z3="5.85788"
                           zFract="0.24977007"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.50734"
                           xFract="0.31783525"
                           y3="7.34468"
                           yFract="0.818783"
                           z3="5.98139"
                           zFract="0.24809114"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.81819"
                           xFract="0.1447888"
                           y3="5.77981"
                           yFract="0.6443317"
                           z3="7.85243"
                           zFract="0.34668299"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.08535"
                           xFract="0.14378592"
                           y3="8.00365"
                           yFract="0.8922448"
                           z3="8.01205"
                           zFract="0.34683855"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="7.38724"
                           xFract="0.39364014"
                           y3="5.77053"
                           yFract="0.64329717"
                           z3="8.01679"
                           zFract="0.34703497"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.6834"
                           xFract="0.39604138"
                           y3="7.98355"
                           yFract="0.89000406"
                           z3="8.14628"
                           zFract="0.3457043"/>
                     <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="6.21776"
                           xFract="0.56671586"
                           y3="0.61805"
                           yFract="0.06890005"
                           z3="5.67346"
                           zFract="0.24852768"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="7.52836"
                           xFract="0.56888365"
                           y3="2.86041"
                           yFract="0.31887776"
                           z3="5.80354"
                           zFract="0.24713416"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="8.8008"
                           xFract="0.81628593"
                           y3="0.62018"
                           yFract="0.0691375"
                           z3="5.84229"
                           zFract="0.249031"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.10672"
                           xFract="0.81875933"
                           y3="2.84889"
                           yFract="0.31759351"
                           z3="5.98946"
                           zFract="0.24847956"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.45779"
                           xFract="0.65081519"
                           y3="1.26215"
                           yFract="0.14070415"
                           z3="7.88359"
                           zFract="0.34808057"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="8.71623"
                           xFract="0.64559143"
                           y3="3.54682"
                           yFract="0.39539856"
                           z3="8.0093"
                           zFract="0.34656085"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="9.98274"
                           xFract="0.89367605"
                           y3="1.28398"
                           yFract="0.14313775"
                           z3="8.00255"
                           zFract="0.34636725"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.24688"
                           xFract="0.89011946"
                           y3="3.54855"
                           yFract="0.39559142"
                           z3="8.15362"
                           zFract="0.34606037"/>
                     <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="8.80791"
                           xFract="0.56814551"
                           y3="5.10105"
                           yFract="0.56866371"
                           z3="5.9950"
                           zFract="0.24872715"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="10.09892"
                           xFract="0.56863455"
                           y3="7.33954"
                           yFract="0.81820999"
                           z3="6.14676"
                           zFract="0.24841882"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="11.40027"
                           xFract="0.81876977"
                           y3="5.10042"
                           yFract="0.56859348"
                           z3="6.14944"
                           zFract="0.2485297"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.69327"
                           xFract="0.81902246"
                           y3="7.34663"
                           yFract="0.81900038"
                           z3="6.29854"
                           zFract="0.24807732"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.97345"
                           xFract="0.64349276"
                           y3="5.77309"
                           yFract="0.64358256"
                           z3="8.18559"
                           zFract="0.34752701"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="11.27498"
                           xFract="0.64698339"
                           y3="7.97584"
                           yFract="0.88914455"
                           z3="8.31427"
                           zFract="0.3461598"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="12.5594"
                           xFract="0.89268164"
                           y3="5.78715"
                           yFract="0.64514996"
                           z3="8.33373"
                           zFract="0.34702648"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.85936"
                           xFract="0.89492655"
                           y3="8.0096"
                           yFract="0.89290811"
                           z3="8.48219"
                           zFract="0.34656352"/>
                     <atom elementType="Cl"
                           id="a65"
                           x3="3.28254"
                           xFract="0.20692989"
                           y3="1.98763"
                           yFract="0.22158047"
                           z3="9.5812"
                           zFract="0.43895829"/>
                     <atom elementType="H"
                           id="a66"
                           x3="6.20837"
                           xFract="0.49028864"
                           y3="1.9780"
                           yFract="0.22050692"
                           z3="8.76711"
                           zFract="0.39214784"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a4" 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 a8" order="S"/>
                     <bond atomRefs2="a4 a19" 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 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a27" 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 a42" 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 a27" order="S"/>
                     <bond atomRefs2="a8 a42" 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 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a25" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a41" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a42" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a27" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a65" order="S"/>
                     <bond atomRefs2="a14 a29" order="S"/>
                     <bond atomRefs2="a14 a25" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a66" order="S"/>
                     <bond atomRefs2="a15 a45" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a16 a66" order="S"/>
                     <bond atomRefs2="a16 a42" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a31" order="S"/>
                     <bond atomRefs2="a16 a27" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a46" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a19" 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 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a27" 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 a58" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a42" order="S"/>
                     <bond atomRefs2="a27 a57" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a58" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a57" order="S"/>
                     <bond atomRefs2="a31 a61" order="S"/>
                     <bond atomRefs2="a31 a46" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a62" order="S"/>
                     <bond atomRefs2="a32 a58" 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 a43" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a42" 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 a59" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a59" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a42 a57" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a59" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a45 a66" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a57" order="S"/>
                     <bond atomRefs2="a46 a61" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a48 a59" order="S"/>
                     <bond atomRefs2="a48 a63" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                  </bondArray>
                  <formula concise="HClCu64">
                     <atomArray count="1 1 64" elementType="H Cl Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4102.396999999995</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="1.09021"
                           xFract="0.07080319"
                           y3="0.62274"
                           yFract="0.06942289"
                           z3="5.38181"
                           zFract="0.24956428"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="2.3536"
                           xFract="0.06924208"
                           y3="2.85007"
                           yFract="0.31772506"
                           z3="5.53767"
                           zFract="0.2495476"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="3.6678"
                           xFract="0.3192356"
                           y3="0.63587"
                           yFract="0.07088662"
                           z3="5.56714"
                           zFract="0.25084292"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.92758"
                           xFract="0.3179186"
                           y3="2.85252"
                           yFract="0.31799818"
                           z3="5.69541"
                           zFract="0.24955363"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.19258"
                           xFract="0.14208602"
                           y3="1.25801"
                           yFract="0.14024262"
                           z3="7.59759"
                           zFract="0.34979553"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="3.50647"
                           xFract="0.14014434"
                           y3="3.5801"
                           yFract="0.39910861"
                           z3="7.75275"
                           zFract="0.34944186"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="4.8839"
                           xFract="0.40279875"
                           y3="1.24797"
                           yFract="0.13912337"
                           z3="7.81689"
                           zFract="0.35238636"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.15615"
                           xFract="0.39973623"
                           y3="3.51776"
                           yFract="0.39215896"
                           z3="7.90473"
                           zFract="0.34906609"/>
                     <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="3.63521"
                           xFract="0.06927061"
                           y3="5.08049"
                           yFract="0.56637169"
                           z3="5.7012"
                           zFract="0.24983482"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.92976"
                           xFract="0.0687863"
                           y3="7.34267"
                           yFract="0.81855892"
                           z3="5.81543"
                           zFract="0.24770719"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.22263"
                           xFract="0.32000541"
                           y3="5.06927"
                           yFract="0.56512089"
                           z3="5.86041"
                           zFract="0.24989422"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.50716"
                           xFract="0.31784895"
                           y3="7.34412"
                           yFract="0.81872057"
                           z3="5.98165"
                           zFract="0.24810486"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.81916"
                           xFract="0.14505082"
                           y3="5.77678"
                           yFract="0.64399392"
                           z3="7.85323"
                           zFract="0.34672297"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.08593"
                           xFract="0.1439225"
                           y3="8.0022"
                           yFract="0.89208315"
                           z3="8.0107"
                           zFract="0.34677564"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="7.38696"
                           xFract="0.39367472"
                           y3="5.76942"
                           yFract="0.64317343"
                           z3="8.01735"
                           zFract="0.34706404"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.68369"
                           xFract="0.3960944"
                           y3="7.9831"
                           yFract="0.88995389"
                           z3="8.14755"
                           zFract="0.3457641"/>
                     <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="6.21709"
                           xFract="0.5665367"
                           y3="0.62011"
                           yFract="0.0691297"
                           z3="5.68182"
                           zFract="0.24892035"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="7.52543"
                           xFract="0.56864707"
                           y3="2.85957"
                           yFract="0.31878411"
                           z3="5.81198"
                           zFract="0.24754196"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="8.80485"
                           xFract="0.8167746"
                           y3="0.61843"
                           yFract="0.06894241"
                           z3="5.83555"
                           zFract="0.24870445"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.1087"
                           xFract="0.81895517"
                           y3="2.84881"
                           yFract="0.31758459"
                           z3="5.98725"
                           zFract="0.24836978"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.45307"
                           xFract="0.65028674"
                           y3="1.26345"
                           yFract="0.14084907"
                           z3="7.88484"
                           zFract="0.34815095"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="8.71615"
                           xFract="0.64565089"
                           y3="3.54561"
                           yFract="0.39526367"
                           z3="8.00717"
                           zFract="0.34646267"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="9.98946"
                           xFract="0.89435951"
                           y3="1.28337"
                           yFract="0.14306975"
                           z3="8.00372"
                           zFract="0.34640404"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.24832"
                           xFract="0.89024866"
                           y3="3.54873"
                           yFract="0.39561149"
                           z3="8.1539"
                           zFract="0.34606911"/>
                     <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="8.80855"
                           xFract="0.56810965"
                           y3="5.10281"
                           yFract="0.56885992"
                           z3="5.99295"
                           zFract="0.24862571"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="10.09762"
                           xFract="0.56858552"
                           y3="7.33816"
                           yFract="0.81805615"
                           z3="6.14442"
                           zFract="0.24831455"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="11.39983"
                           xFract="0.81873001"
                           y3="5.10037"
                           yFract="0.56858791"
                           z3="6.15037"
                           zFract="0.2485749"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.69445"
                           xFract="0.81923871"
                           y3="7.34479"
                           yFract="0.81879526"
                           z3="6.29631"
                           zFract="0.24797184"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.97318"
                           xFract="0.64348666"
                           y3="5.77273"
                           yFract="0.64354242"
                           z3="8.18685"
                           zFract="0.3475878"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="11.27522"
                           xFract="0.64690497"
                           y3="7.97767"
                           yFract="0.88934856"
                           z3="8.31249"
                           zFract="0.34607213"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="12.5600"
                           xFract="0.89278518"
                           y3="5.78633"
                           yFract="0.64505855"
                           z3="8.33414"
                           zFract="0.34704545"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.86254"
                           xFract="0.89558323"
                           y3="8.00331"
                           yFract="0.8922069"
                           z3="8.48326"
                           zFract="0.3466153"/>
                     <atom elementType="Cl"
                           id="a65"
                           x3="3.25962"
                           xFract="0.20445556"
                           y3="1.99229"
                           yFract="0.22209997"
                           z3="9.58401"
                           zFract="0.43914913"/>
                     <atom elementType="H"
                           id="a66"
                           x3="6.20702"
                           xFract="0.48924299"
                           y3="1.99448"
                           yFract="0.22234411"
                           z3="8.76181"
                           zFract="0.39187432"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a4" 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 a8" order="S"/>
                     <bond atomRefs2="a4 a19" 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 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a27" 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 a42" 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 a27" order="S"/>
                     <bond atomRefs2="a8 a42" 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 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a25" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a41" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a42" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a27" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a65" order="S"/>
                     <bond atomRefs2="a14 a29" order="S"/>
                     <bond atomRefs2="a14 a25" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a66" order="S"/>
                     <bond atomRefs2="a15 a45" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a16 a66" order="S"/>
                     <bond atomRefs2="a16 a42" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a31" order="S"/>
                     <bond atomRefs2="a16 a27" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a46" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a19" 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 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a27" 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 a58" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a42" order="S"/>
                     <bond atomRefs2="a27 a57" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a58" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a57" order="S"/>
                     <bond atomRefs2="a31 a61" order="S"/>
                     <bond atomRefs2="a31 a46" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a62" order="S"/>
                     <bond atomRefs2="a32 a58" 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 a43" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a42" 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 a59" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a59" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a42 a57" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a59" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a45 a66" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a57" order="S"/>
                     <bond atomRefs2="a46 a61" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a48 a59" order="S"/>
                     <bond atomRefs2="a48 a63" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                  </bondArray>
                  <formula concise="HClCu64">
                     <atomArray count="1 1 64" elementType="H Cl Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4102.396999999995</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="1.09255"
                           xFract="0.07108714"
                           y3="0.6217"
                           yFract="0.06930695"
                           z3="5.38264"
                           zFract="0.2495984"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="2.35354"
                           xFract="0.06928404"
                           y3="2.84921"
                           yFract="0.31762918"
                           z3="5.53675"
                           zFract="0.24950583"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="3.67043"
                           xFract="0.31926715"
                           y3="0.63988"
                           yFract="0.07133365"
                           z3="5.57182"
                           zFract="0.25104929"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.92958"
                           xFract="0.31823854"
                           y3="2.85024"
                           yFract="0.31774401"
                           z3="5.71133"
                           zFract="0.25030229"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.19109"
                           xFract="0.14220743"
                           y3="1.25323"
                           yFract="0.13970975"
                           z3="7.59407"
                           zFract="0.34964184"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="3.51092"
                           xFract="0.14081662"
                           y3="3.57574"
                           yFract="0.39862256"
                           z3="7.7508"
                           zFract="0.34934436"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="4.88105"
                           xFract="0.40298416"
                           y3="1.23967"
                           yFract="0.13819809"
                           z3="7.81969"
                           zFract="0.35254047"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.16403"
                           xFract="0.40017809"
                           y3="3.52352"
                           yFract="0.39280108"
                           z3="7.90233"
                           zFract="0.34892057"/>
                     <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="3.63481"
                           xFract="0.06925971"
                           y3="5.07999"
                           yFract="0.56631595"
                           z3="5.70021"
                           zFract="0.24979014"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.93207"
                           xFract="0.06905458"
                           y3="7.34186"
                           yFract="0.81846863"
                           z3="5.81587"
                           zFract="0.24772263"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.22263"
                           xFract="0.32032694"
                           y3="5.06348"
                           yFract="0.56447542"
                           z3="5.86547"
                           zFract="0.25014246"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.50682"
                           xFract="0.31787883"
                           y3="7.34299"
                           yFract="0.8185946"
                           z3="5.98216"
                           zFract="0.24813177"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.82108"
                           xFract="0.14557349"
                           y3="5.77071"
                           yFract="0.64331724"
                           z3="7.85483"
                           zFract="0.34680301"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.0871"
                           xFract="0.14419553"
                           y3="7.99932"
                           yFract="0.89176209"
                           z3="8.00799"
                           zFract="0.3466493"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="7.38639"
                           xFract="0.39374179"
                           y3="5.76722"
                           yFract="0.64292817"
                           z3="8.01848"
                           zFract="0.34712264"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.68429"
                           xFract="0.39620182"
                           y3="7.98221"
                           yFract="0.88985468"
                           z3="8.1501"
                           zFract="0.34588408"/>
                     <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="6.21574"
                           xFract="0.56617741"
                           y3="0.62423"
                           yFract="0.069589"
                           z3="5.69853"
                           zFract="0.24970523"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="7.51958"
                           xFract="0.56817543"
                           y3="2.85788"
                           yFract="0.31859571"
                           z3="5.82888"
                           zFract="0.24835849"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="8.81293"
                           xFract="0.8177489"
                           y3="0.61495"
                           yFract="0.06855446"
                           z3="5.82205"
                           zFract="0.24805042"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.11264"
                           xFract="0.81934435"
                           y3="2.84866"
                           yFract="0.31756787"
                           z3="5.98283"
                           zFract="0.24815026"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.44362"
                           xFract="0.64922944"
                           y3="1.26604"
                           yFract="0.14113781"
                           z3="7.88734"
                           zFract="0.34829177"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="8.7160"
                           xFract="0.64576967"
                           y3="3.54321"
                           yFract="0.39499612"
                           z3="8.0029"
                           zFract="0.34626578"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="10.0029"
                           xFract="0.89572643"
                           y3="1.28215"
                           yFract="0.14293375"
                           z3="8.00606"
                           zFract="0.34647763"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.25119"
                           xFract="0.89050554"
                           y3="3.5491"
                           yFract="0.39565274"
                           z3="8.15445"
                           zFract="0.34608615"/>
                     <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="8.80984"
                           xFract="0.56803832"
                           y3="5.10634"
                           yFract="0.56925344"
                           z3="5.98885"
                           zFract="0.24842277"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="10.09504"
                           xFract="0.56848995"
                           y3="7.33539"
                           yFract="0.81774735"
                           z3="6.13972"
                           zFract="0.24810501"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="11.39896"
                           xFract="0.81865202"
                           y3="5.10026"
                           yFract="0.56857565"
                           z3="6.15224"
                           zFract="0.24866576"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.69681"
                           xFract="0.81967174"
                           y3="7.3411"
                           yFract="0.8183839"
                           z3="6.29184"
                           zFract="0.24776044"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.97266"
                           xFract="0.64347637"
                           y3="5.77201"
                           yFract="0.64346216"
                           z3="8.18936"
                           zFract="0.34770885"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="11.2757"
                           xFract="0.64674813"
                           y3="7.98133"
                           yFract="0.88975657"
                           z3="8.30891"
                           zFract="0.34589583"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="12.56119"
                           xFract="0.89299072"
                           y3="5.7847"
                           yFract="0.64487684"
                           z3="8.33498"
                           zFract="0.34708434"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.86889"
                           xFract="0.89689563"
                           y3="7.99073"
                           yFract="0.89080448"
                           z3="8.48539"
                           zFract="0.34671841"/>
                     <atom elementType="Cl"
                           id="a65"
                           x3="3.21379"
                           xFract="0.19950788"
                           y3="2.00161"
                           yFract="0.22313896"
                           z3="9.58963"
                           zFract="0.43953079"/>
                     <atom elementType="H"
                           id="a66"
                           x3="6.20432"
                           xFract="0.48715225"
                           y3="2.02743"
                           yFract="0.22601736"
                           z3="8.75122"
                           zFract="0.39132777"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a4" 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 a8" order="S"/>
                     <bond atomRefs2="a4 a19" 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 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a27" 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 a42" 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 a27" order="S"/>
                     <bond atomRefs2="a8 a42" 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 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a25" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a41" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a42" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a27" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a65" order="S"/>
                     <bond atomRefs2="a14 a29" order="S"/>
                     <bond atomRefs2="a14 a25" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a66" order="S"/>
                     <bond atomRefs2="a15 a45" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a16 a66" order="S"/>
                     <bond atomRefs2="a16 a42" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a31" order="S"/>
                     <bond atomRefs2="a16 a27" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a46" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a19" 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 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a27" 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 a58" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a42" order="S"/>
                     <bond atomRefs2="a27 a57" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a58" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a57" order="S"/>
                     <bond atomRefs2="a31 a61" order="S"/>
                     <bond atomRefs2="a31 a46" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a62" order="S"/>
                     <bond atomRefs2="a32 a58" 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 a43" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a42" 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 a59" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a59" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a42 a57" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a59" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a45 a66" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a57" order="S"/>
                     <bond atomRefs2="a46 a61" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a48 a59" order="S"/>
                     <bond atomRefs2="a48 a63" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                  </bondArray>
                  <formula concise="HClCu64">
                     <atomArray count="1 1 64" elementType="H Cl Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4102.396999999995</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="1.09084"
                           xFract="0.07087909"
                           y3="0.62247"
                           yFract="0.06939279"
                           z3="5.38203"
                           zFract="0.24957328"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="2.35359"
                           xFract="0.06925389"
                           y3="2.84984"
                           yFract="0.31769941"
                           z3="5.53742"
                           zFract="0.24953623"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="3.6685"
                           xFract="0.31924329"
                           y3="0.63695"
                           yFract="0.07100702"
                           z3="5.5684"
                           zFract="0.2508985"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.92812"
                           xFract="0.31800523"
                           y3="2.8519"
                           yFract="0.31792906"
                           z3="5.69968"
                           zFract="0.24975444"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.19218"
                           xFract="0.14211899"
                           y3="1.25672"
                           yFract="0.14009882"
                           z3="7.59665"
                           zFract="0.34975451"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="3.50766"
                           xFract="0.14032435"
                           y3="3.57893"
                           yFract="0.39897818"
                           z3="7.75223"
                           zFract="0.34941587"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="4.88314"
                           xFract="0.40284912"
                           y3="1.24574"
                           yFract="0.13887477"
                           z3="7.81764"
                           zFract="0.35242764"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.15826"
                           xFract="0.39985412"
                           y3="3.51931"
                           yFract="0.39233175"
                           z3="7.90409"
                           zFract="0.34902724"/>
                     <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="3.6351"
                           xFract="0.06926719"
                           y3="5.08036"
                           yFract="0.5663572"
                           z3="5.70094"
                           zFract="0.2498231"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.93038"
                           xFract="0.06885845"
                           y3="7.34245"
                           yFract="0.8185344"
                           z3="5.81555"
                           zFract="0.24771143"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.22263"
                           xFract="0.32009148"
                           y3="5.06772"
                           yFract="0.5649481"
                           z3="5.86177"
                           zFract="0.24996093"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.50707"
                           xFract="0.31785691"
                           y3="7.34382"
                           yFract="0.81868713"
                           z3="5.98178"
                           zFract="0.24811175"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.81967"
                           xFract="0.14519064"
                           y3="5.77515"
                           yFract="0.64381221"
                           z3="7.85366"
                           zFract="0.3467445"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.08625"
                           xFract="0.14399619"
                           y3="8.00143"
                           yFract="0.89199732"
                           z3="8.00997"
                           zFract="0.34674159"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="7.38681"
                           xFract="0.39369298"
                           y3="5.76883"
                           yFract="0.64310765"
                           z3="8.01765"
                           zFract="0.3470796"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.68385"
                           xFract="0.39612264"
                           y3="7.98287"
                           yFract="0.88992825"
                           z3="8.14823"
                           zFract="0.34579608"/>
                     <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="6.21673"
                           xFract="0.56644082"
                           y3="0.62121"
                           yFract="0.06925233"
                           z3="5.6863"
                           zFract="0.24913078"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="7.52386"
                           xFract="0.56852085"
                           y3="2.85911"
                           yFract="0.31873283"
                           z3="5.81651"
                           zFract="0.24776085"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="8.80701"
                           xFract="0.81703504"
                           y3="0.6175"
                           yFract="0.06883874"
                           z3="5.83193"
                           zFract="0.24852908"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.10975"
                           xFract="0.81905889"
                           y3="2.84877"
                           yFract="0.31758013"
                           z3="5.98607"
                           zFract="0.24831118"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.45053"
                           xFract="0.6500029"
                           y3="1.26414"
                           yFract="0.140926"
                           z3="7.88551"
                           zFract="0.34818872"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="8.71611"
                           xFract="0.64568257"
                           y3="3.54497"
                           yFract="0.39519232"
                           z3="8.00602"
                           zFract="0.34640963"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="9.99307"
                           xFract="0.8947268"
                           y3="1.28304"
                           yFract="0.14303296"
                           z3="8.00435"
                           zFract="0.34642388"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.24909"
                           xFract="0.89031754"
                           y3="3.54883"
                           yFract="0.39562264"
                           z3="8.15404"
                           zFract="0.34607332"/>
                     <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="8.8089"
                           xFract="0.56809072"
                           y3="5.10376"
                           yFract="0.56896582"
                           z3="5.99185"
                           zFract="0.24857124"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="10.09693"
                           xFract="0.56855991"
                           y3="7.33742"
                           yFract="0.81797366"
                           z3="6.14316"
                           zFract="0.24825837"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="11.3996"
                           xFract="0.81870944"
                           y3="5.10034"
                           yFract="0.56858456"
                           z3="6.15087"
                           zFract="0.24859919"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.69508"
                           xFract="0.81935458"
                           y3="7.3438"
                           yFract="0.8186849"
                           z3="6.29511"
                           zFract="0.2479151"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.97304"
                           xFract="0.64348367"
                           y3="5.77254"
                           yFract="0.64352124"
                           z3="8.18752"
                           zFract="0.34762011"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="11.27535"
                           xFract="0.64686312"
                           y3="7.97865"
                           yFract="0.88945781"
                           z3="8.31153"
                           zFract="0.34602485"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="12.56032"
                           xFract="0.89284054"
                           y3="5.78589"
                           yFract="0.6450095"
                           z3="8.33437"
                           zFract="0.3470561"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.86424"
                           xFract="0.8959347"
                           y3="7.99994"
                           yFract="0.89183121"
                           z3="8.48383"
                           zFract="0.3466429"/>
                     <atom elementType="Cl"
                           id="a65"
                           x3="3.24733"
                           xFract="0.20312873"
                           y3="1.99479"
                           yFract="0.22237867"
                           z3="9.58552"
                           zFract="0.43925161"/>
                     <atom elementType="H"
                           id="a66"
                           x3="6.2063"
                           xFract="0.48868305"
                           y3="2.00331"
                           yFract="0.22332847"
                           z3="8.75897"
                           zFract="0.39172775"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a4" 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 a8" order="S"/>
                     <bond atomRefs2="a4 a19" 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 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a27" 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 a42" 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 a27" order="S"/>
                     <bond atomRefs2="a8 a42" 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 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a25" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a41" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a42" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a27" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a65" order="S"/>
                     <bond atomRefs2="a14 a29" order="S"/>
                     <bond atomRefs2="a14 a25" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a66" order="S"/>
                     <bond atomRefs2="a15 a45" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a16 a66" order="S"/>
                     <bond atomRefs2="a16 a42" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a31" order="S"/>
                     <bond atomRefs2="a16 a27" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a46" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a19" 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 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a27" 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 a58" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a42" order="S"/>
                     <bond atomRefs2="a27 a57" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a58" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a57" order="S"/>
                     <bond atomRefs2="a31 a61" order="S"/>
                     <bond atomRefs2="a31 a46" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a62" order="S"/>
                     <bond atomRefs2="a32 a58" 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 a43" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a42" 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 a59" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a59" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a42 a57" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a59" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a45 a66" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a57" order="S"/>
                     <bond atomRefs2="a46 a61" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a48 a59" order="S"/>
                     <bond atomRefs2="a48 a63" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                  </bondArray>
                  <formula concise="HClCu64">
                     <atomArray count="1 1 64" elementType="H Cl Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4102.396999999995</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="1.09195"
                           xFract="0.07103969"
                           y3="0.62151"
                           yFract="0.06928577"
                           z3="5.38098"
                           zFract="0.24952218"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="2.35505"
                           xFract="0.06936892"
                           y3="2.85031"
                           yFract="0.31775181"
                           z3="5.53688"
                           zFract="0.24950577"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="3.66776"
                           xFract="0.3192384"
                           y3="0.63575"
                           yFract="0.07087324"
                           z3="5.56608"
                           zFract="0.25079325"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.92701"
                           xFract="0.31789072"
                           y3="2.85203"
                           yFract="0.31794356"
                           z3="5.70142"
                           zFract="0.24983947"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.19303"
                           xFract="0.14228446"
                           y3="1.25522"
                           yFract="0.1399316"
                           z3="7.59617"
                           zFract="0.34973193"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="3.5093"
                           xFract="0.1406528"
                           y3="3.57587"
                           yFract="0.39863705"
                           z3="7.75338"
                           zFract="0.34947047"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="4.87836"
                           xFract="0.40226656"
                           y3="1.24791"
                           yFract="0.13911668"
                           z3="7.82055"
                           zFract="0.35257502"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.15658"
                           xFract="0.39933188"
                           y3="3.52579"
                           yFract="0.39305414"
                           z3="7.90089"
                           zFract="0.34887038"/>
                     <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="3.63562"
                           xFract="0.06939576"
                           y3="5.07895"
                           yFract="0.56620001"
                           z3="5.70055"
                           zFract="0.24980557"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.93146"
                           xFract="0.06907502"
                           y3="7.34043"
                           yFract="0.81830921"
                           z3="5.81571"
                           zFract="0.24771923"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.22289"
                           xFract="0.31997224"
                           y3="5.07032"
                           yFract="0.56523794"
                           z3="5.85785"
                           zFract="0.24977101"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.50781"
                           xFract="0.31795232"
                           y3="7.34339"
                           yFract="0.81863919"
                           z3="5.98217"
                           zFract="0.24812872"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.8198"
                           xFract="0.14529427"
                           y3="5.77351"
                           yFract="0.64362938"
                           z3="7.85489"
                           zFract="0.34680486"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.08736"
                           xFract="0.14428063"
                           y3="7.99824"
                           yFract="0.8916417"
                           z3="8.00952"
                           zFract="0.34672249"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="7.38949"
                           xFract="0.39389096"
                           y3="5.76993"
                           yFract="0.64323028"
                           z3="8.01864"
                           zFract="0.34711671"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.68438"
                           xFract="0.39630326"
                           y3="7.98054"
                           yFract="0.8896685"
                           z3="8.1490"
                           zFract="0.34583475"/>
                     <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="6.21836"
                           xFract="0.56667501"
                           y3="0.61983"
                           yFract="0.06909849"
                           z3="5.68774"
                           zFract="0.24919627"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="7.52678"
                           xFract="0.56891806"
                           y3="2.85704"
                           yFract="0.31850207"
                           z3="5.81629"
                           zFract="0.24774551"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="8.80951"
                           xFract="0.81735333"
                           y3="0.61612"
                           yFract="0.0686849"
                           z3="5.83315"
                           zFract="0.2485817"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.10963"
                           xFract="0.81904007"
                           y3="2.8489"
                           yFract="0.31759462"
                           z3="5.98581"
                           zFract="0.24829905"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.4482"
                           xFract="0.64973158"
                           y3="1.26497"
                           yFract="0.14101852"
                           z3="7.88751"
                           zFract="0.34828836"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="8.71841"
                           xFract="0.64603262"
                           y3="3.54267"
                           yFract="0.39493592"
                           z3="8.00568"
                           zFract="0.34639081"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="9.99095"
                           xFract="0.89458795"
                           y3="1.28185"
                           yFract="0.1429003"
                           z3="8.0030"
                           zFract="0.34636834"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.24943"
                           xFract="0.89032542"
                           y3="3.54928"
                           yFract="0.3956728"
                           z3="8.15357"
                           zFract="0.34604943"/>
                     <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="8.80869"
                           xFract="0.56812484"
                           y3="5.10278"
                           yFract="0.56885657"
                           z3="5.9915"
                           zFract="0.24855699"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="10.09736"
                           xFract="0.56853151"
                           y3="7.33868"
                           yFract="0.81811412"
                           z3="6.14275"
                           zFract="0.24823569"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="11.39935"
                           xFract="0.8186925"
                           y3="5.10021"
                           yFract="0.56857007"
                           z3="6.15142"
                           zFract="0.24862606"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.69472"
                           xFract="0.81933866"
                           y3="7.34346"
                           yFract="0.81864699"
                           z3="6.29537"
                           zFract="0.24792896"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.97332"
                           xFract="0.64351685"
                           y3="5.77243"
                           yFract="0.64350898"
                           z3="8.18787"
                           zFract="0.34763599"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="11.27714"
                           xFract="0.64706891"
                           y3="7.97806"
                           yFract="0.88939203"
                           z3="8.31143"
                           zFract="0.34601596"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="12.56026"
                           xFract="0.89285807"
                           y3="5.78547"
                           yFract="0.64496268"
                           z3="8.33405"
                           zFract="0.34704189"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.86482"
                           xFract="0.89598077"
                           y3="8.00012"
                           yFract="0.89185128"
                           z3="8.48332"
                           zFract="0.34661688"/>
                     <atom elementType="Cl"
                           id="a65"
                           x3="3.2317"
                           xFract="0.20136741"
                           y3="1.9993"
                           yFract="0.22288144"
                           z3="9.58479"
                           zFract="0.43925476"/>
                     <atom elementType="H"
                           id="a66"
                           x3="6.20576"
                           xFract="0.4882649"
                           y3="2.0099"
                           yFract="0.22406312"
                           z3="8.76099"
                           zFract="0.39181354"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a4" 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 a8" order="S"/>
                     <bond atomRefs2="a4 a19" 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 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a27" 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 a42" 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 a27" order="S"/>
                     <bond atomRefs2="a8 a42" 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 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a25" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a41" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a42" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a27" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a65" order="S"/>
                     <bond atomRefs2="a14 a29" order="S"/>
                     <bond atomRefs2="a14 a25" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a66" order="S"/>
                     <bond atomRefs2="a15 a45" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a16 a66" order="S"/>
                     <bond atomRefs2="a16 a42" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a31" order="S"/>
                     <bond atomRefs2="a16 a27" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a46" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a19" 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 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a27" 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 a58" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a42" order="S"/>
                     <bond atomRefs2="a27 a57" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a58" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a57" order="S"/>
                     <bond atomRefs2="a31 a61" order="S"/>
                     <bond atomRefs2="a31 a46" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a62" order="S"/>
                     <bond atomRefs2="a32 a58" 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 a43" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a42" 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 a59" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a59" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a42 a57" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a59" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a45 a66" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a57" order="S"/>
                     <bond atomRefs2="a46 a61" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a48 a59" order="S"/>
                     <bond atomRefs2="a48 a63" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                  </bondArray>
                  <formula concise="HClCu64">
                     <atomArray count="1 1 64" elementType="H Cl Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4102.396999999995</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="1.09357"
                           xFract="0.07127459"
                           y3="0.6201"
                           yFract="0.06912859"
                           z3="5.37943"
                           zFract="0.24944678"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="2.3572"
                           xFract="0.06953899"
                           y3="2.85099"
                           yFract="0.31782762"
                           z3="5.53609"
                           zFract="0.24946118"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="3.66666"
                           xFract="0.31922925"
                           y3="0.6340"
                           yFract="0.07067815"
                           z3="5.56267"
                           zFract="0.25063857"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.92538"
                           xFract="0.31772316"
                           y3="2.85221"
                           yFract="0.31796362"
                           z3="5.70398"
                           zFract="0.24996457"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.19427"
                           xFract="0.1425276"
                           y3="1.2530"
                           yFract="0.13968411"
                           z3="7.59547"
                           zFract="0.34969906"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="3.51172"
                           xFract="0.14113717"
                           y3="3.57136"
                           yFract="0.39813428"
                           z3="7.75507"
                           zFract="0.3495507"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="4.87132"
                           xFract="0.40140945"
                           y3="1.25109"
                           yFract="0.13947118"
                           z3="7.82483"
                           zFract="0.35279182"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.1541"
                           xFract="0.39856183"
                           y3="3.53534"
                           yFract="0.39411877"
                           z3="7.89619"
                           zFract="0.34863999"/>
                     <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="3.63639"
                           xFract="0.06958569"
                           y3="5.07687"
                           yFract="0.56596813"
                           z3="5.69999"
                           zFract="0.24978041"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.93305"
                           xFract="0.06939365"
                           y3="7.33746"
                           yFract="0.81797811"
                           z3="5.81595"
                           zFract="0.24773092"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.22326"
                           xFract="0.31979532"
                           y3="5.07415"
                           yFract="0.56566491"
                           z3="5.85209"
                           zFract="0.24949197"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.50889"
                           xFract="0.3180917"
                           y3="7.34276"
                           yFract="0.81856896"
                           z3="5.98273"
                           zFract="0.24815306"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.81999"
                           xFract="0.14544703"
                           y3="5.77109"
                           yFract="0.6433596"
                           z3="7.8567"
                           zFract="0.34689369"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.08901"
                           xFract="0.14470113"
                           y3="7.99354"
                           yFract="0.89111774"
                           z3="8.00886"
                           zFract="0.34669446"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="7.39344"
                           xFract="0.39418338"
                           y3="5.77154"
                           yFract="0.64340976"
                           z3="8.02009"
                           zFract="0.34717099"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.68515"
                           xFract="0.39656761"
                           y3="7.97712"
                           yFract="0.88928724"
                           z3="8.15012"
                           zFract="0.34589105"/>
                     <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="6.22076"
                           xFract="0.56701973"
                           y3="0.6178"
                           yFract="0.06887218"
                           z3="5.68987"
                           zFract="0.24929317"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="7.53107"
                           xFract="0.56950212"
                           y3="2.85399"
                           yFract="0.31816206"
                           z3="5.81597"
                           zFract="0.24772313"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="8.81318"
                           xFract="0.81782027"
                           y3="0.6141"
                           yFract="0.06845971"
                           z3="5.83494"
                           zFract="0.24865888"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.10944"
                           xFract="0.81901115"
                           y3="2.84909"
                           yFract="0.31761581"
                           z3="5.98543"
                           zFract="0.24828137"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.44478"
                           xFract="0.64933379"
                           y3="1.26618"
                           yFract="0.14115341"
                           z3="7.89046"
                           zFract="0.34843529"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="8.7218"
                           xFract="0.64654745"
                           y3="3.5393"
                           yFract="0.39456023"
                           z3="8.00517"
                           zFract="0.34636261"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="9.98784"
                           xFract="0.89438561"
                           y3="1.28008"
                           yFract="0.14270298"
                           z3="8.00101"
                           zFract="0.34628644"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.24994"
                           xFract="0.89033807"
                           y3="3.54994"
                           yFract="0.39574638"
                           z3="8.15287"
                           zFract="0.34601385"/>
                     <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="8.80839"
                           xFract="0.56817525"
                           y3="5.10135"
                           yFract="0.56869716"
                           z3="5.99098"
                           zFract="0.24853572"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="10.0980"
                           xFract="0.56849009"
                           y3="7.34054"
                           yFract="0.81832147"
                           z3="6.14215"
                           zFract="0.24820245"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="11.39898"
                           xFract="0.81866784"
                           y3="5.10001"
                           yFract="0.56854778"
                           z3="6.15223"
                           zFract="0.24866565"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.69419"
                           xFract="0.81931519"
                           y3="7.34296"
                           yFract="0.81859125"
                           z3="6.29575"
                           zFract="0.24794924"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.97372"
                           xFract="0.6435644"
                           y3="5.77227"
                           yFract="0.64349114"
                           z3="8.18839"
                           zFract="0.34765962"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="11.27979"
                           xFract="0.64737338"
                           y3="7.97719"
                           yFract="0.88929505"
                           z3="8.31129"
                           zFract="0.34600316"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="12.56019"
                           xFract="0.89288573"
                           y3="5.78485"
                           yFract="0.64489356"
                           z3="8.33359"
                           zFract="0.34702144"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.86568"
                           xFract="0.89604891"
                           y3="8.00039"
                           yFract="0.89188138"
                           z3="8.48255"
                           zFract="0.34657764"/>
                     <atom elementType="Cl"
                           id="a65"
                           x3="3.20868"
                           xFract="0.19877403"
                           y3="2.00593"
                           yFract="0.22362055"
                           z3="9.58372"
                           zFract="0.43925966"/>
                     <atom elementType="H"
                           id="a66"
                           x3="6.20496"
                           xFract="0.48764892"
                           y3="2.0196"
                           yFract="0.22514448"
                           z3="8.76397"
                           zFract="0.39194015"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a4" 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 a8" order="S"/>
                     <bond atomRefs2="a4 a19" 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 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a27" 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 a42" 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 a27" order="S"/>
                     <bond atomRefs2="a8 a42" 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 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a25" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a41" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a42" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a27" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a65" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a29" order="S"/>
                     <bond atomRefs2="a14 a25" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a66" order="S"/>
                     <bond atomRefs2="a15 a45" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a16 a66" order="S"/>
                     <bond atomRefs2="a16 a42" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a31" order="S"/>
                     <bond atomRefs2="a16 a27" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a46" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a19" 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 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a27" 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 a58" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a42" order="S"/>
                     <bond atomRefs2="a27 a57" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a58" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a57" order="S"/>
                     <bond atomRefs2="a31 a61" order="S"/>
                     <bond atomRefs2="a31 a46" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a62" order="S"/>
                     <bond atomRefs2="a32 a58" 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 a43" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a42" 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 a59" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a59" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a42 a57" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a59" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a45 a66" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a57" order="S"/>
                     <bond atomRefs2="a46 a61" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a48 a59" order="S"/>
                     <bond atomRefs2="a48 a63" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                  </bondArray>
                  <formula concise="HClCu64">
                     <atomArray count="1 1 64" elementType="H Cl Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4102.396999999995</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="1.09386"
                           xFract="0.0713165"
                           y3="0.61985"
                           yFract="0.06910072"
                           z3="5.37916"
                           zFract="0.24943363"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="2.35759"
                           xFract="0.06956947"
                           y3="2.85112"
                           yFract="0.31784211"
                           z3="5.53595"
                           zFract="0.24945324"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="3.66647"
                           xFract="0.3192281"
                           y3="0.63369"
                           yFract="0.07064359"
                           z3="5.56207"
                           zFract="0.25061135"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.92508"
                           xFract="0.31769249"
                           y3="2.85224"
                           yFract="0.31796697"
                           z3="5.70443"
                           zFract="0.24998661"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.19449"
                           xFract="0.14257052"
                           y3="1.25261"
                           yFract="0.13964063"
                           z3="7.59535"
                           zFract="0.34969342"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="3.51215"
                           xFract="0.14122372"
                           y3="3.57055"
                           yFract="0.39804398"
                           z3="7.75537"
                           zFract="0.34956496"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="4.87007"
                           xFract="0.40125697"
                           y3="1.25166"
                           yFract="0.13953473"
                           z3="7.8256"
                           zFract="0.35283078"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.15365"
                           xFract="0.39842337"
                           y3="3.53705"
                           yFract="0.39430941"
                           z3="7.89535"
                           zFract="0.34859882"/>
                     <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="3.63652"
                           xFract="0.06961881"
                           y3="5.0765"
                           yFract="0.56592689"
                           z3="5.69989"
                           zFract="0.24977594"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.93333"
                           xFract="0.06945015"
                           y3="7.33693"
                           yFract="0.81791903"
                           z3="5.81599"
                           zFract="0.24773288"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.22332"
                           xFract="0.31976336"
                           y3="5.07483"
                           yFract="0.56574072"
                           z3="5.85107"
                           zFract="0.24944256"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.50908"
                           xFract="0.31811618"
                           y3="7.34265"
                           yFract="0.81855669"
                           z3="5.98283"
                           zFract="0.24815741"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.82002"
                           xFract="0.1454738"
                           y3="5.77066"
                           yFract="0.64331166"
                           z3="7.85702"
                           zFract="0.34690941"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.0893"
                           xFract="0.14477581"
                           y3="7.9927"
                           yFract="0.8910241"
                           z3="8.00874"
                           zFract="0.34668937"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="7.39414"
                           xFract="0.39423549"
                           y3="5.77182"
                           yFract="0.64344098"
                           z3="8.02035"
                           zFract="0.34718076"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.68528"
                           xFract="0.39661405"
                           y3="7.97651"
                           yFract="0.88921924"
                           z3="8.15032"
                           zFract="0.34590112"/>
                     <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="6.22119"
                           xFract="0.56708185"
                           y3="0.61743"
                           yFract="0.06883093"
                           z3="5.69025"
                           zFract="0.24931046"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="7.53184"
                           xFract="0.56960709"
                           y3="2.85344"
                           yFract="0.31810074"
                           z3="5.81591"
                           zFract="0.247719"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="8.81383"
                           xFract="0.81790309"
                           y3="0.61374"
                           yFract="0.06841957"
                           z3="5.83526"
                           zFract="0.24867269"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.1094"
                           xFract="0.81900562"
                           y3="2.84912"
                           yFract="0.31761915"
                           z3="5.98536"
                           zFract="0.24827813"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.44417"
                           xFract="0.64926261"
                           y3="1.2664"
                           yFract="0.14117794"
                           z3="7.89098"
                           zFract="0.34846121"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="8.72241"
                           xFract="0.64664029"
                           y3="3.53869"
                           yFract="0.39449223"
                           z3="8.00508"
                           zFract="0.34635762"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="9.98728"
                           xFract="0.8943487"
                           y3="1.27977"
                           yFract="0.14266842"
                           z3="8.00066"
                           zFract="0.34627207"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.25003"
                           xFract="0.8903401"
                           y3="3.55006"
                           yFract="0.39575976"
                           z3="8.15275"
                           zFract="0.34600774"/>
                     <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="8.80834"
                           xFract="0.56818486"
                           y3="5.10109"
                           yFract="0.56866817"
                           z3="5.99088"
                           zFract="0.24853158"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="10.09812"
                           xFract="0.56848336"
                           y3="7.34087"
                           yFract="0.81835826"
                           z3="6.14204"
                           zFract="0.24819636"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="11.39891"
                           xFract="0.81866274"
                           y3="5.09998"
                           yFract="0.56854443"
                           z3="6.15237"
                           zFract="0.24867251"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.6941"
                           xFract="0.81931149"
                           y3="7.34287"
                           yFract="0.81858122"
                           z3="6.29582"
                           zFract="0.24795295"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.97379"
                           xFract="0.64357283"
                           y3="5.77224"
                           yFract="0.6434878"
                           z3="8.18848"
                           zFract="0.34766371"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="11.28026"
                           xFract="0.64742714"
                           y3="7.97704"
                           yFract="0.88927832"
                           z3="8.31126"
                           zFract="0.34600064"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="12.56017"
                           xFract="0.89288991"
                           y3="5.78474"
                           yFract="0.6448813"
                           z3="8.33351"
                           zFract="0.34701791"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.86583"
                           xFract="0.89606119"
                           y3="8.00043"
                           yFract="0.89188584"
                           z3="8.48242"
                           zFract="0.34657101"/>
                     <atom elementType="Cl"
                           id="a65"
                           x3="3.20457"
                           xFract="0.19831065"
                           y3="2.00712"
                           yFract="0.22375321"
                           z3="9.58353"
                           zFract="0.43926058"/>
                     <atom elementType="H"
                           id="a66"
                           x3="6.20482"
                           xFract="0.48753932"
                           y3="2.02133"
                           yFract="0.22533734"
                           z3="8.7645"
                           zFract="0.39196266"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a4" 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 a8" order="S"/>
                     <bond atomRefs2="a4 a19" 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 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a27" 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 a42" 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 a27" order="S"/>
                     <bond atomRefs2="a8 a42" 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 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a25" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a41" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a42" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a27" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a65" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a29" order="S"/>
                     <bond atomRefs2="a14 a25" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a66" order="S"/>
                     <bond atomRefs2="a15 a45" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a16 a66" order="S"/>
                     <bond atomRefs2="a16 a42" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a31" order="S"/>
                     <bond atomRefs2="a16 a27" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a46" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a19" 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 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a27" 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 a58" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a42" order="S"/>
                     <bond atomRefs2="a27 a57" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a58" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a57" order="S"/>
                     <bond atomRefs2="a31 a61" order="S"/>
                     <bond atomRefs2="a31 a46" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a62" order="S"/>
                     <bond atomRefs2="a32 a58" 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 a43" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a42" 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 a59" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a59" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a42 a57" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a59" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a45 a66" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a57" order="S"/>
                     <bond atomRefs2="a46 a61" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a48 a59" order="S"/>
                     <bond atomRefs2="a48 a63" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                  </bondArray>
                  <formula concise="HClCu64">
                     <atomArray count="1 1 64" elementType="H Cl Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4102.396999999995</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="1.09414"
                           xFract="0.0713569"
                           y3="0.61961"
                           yFract="0.06907396"
                           z3="5.37958"
                           zFract="0.24945302"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="2.35718"
                           xFract="0.06957148"
                           y3="2.85037"
                           yFract="0.3177585"
                           z3="5.53612"
                           zFract="0.24946369"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="3.66702"
                           xFract="0.31938511"
                           y3="0.63182"
                           yFract="0.07043513"
                           z3="5.56143"
                           zFract="0.25058271"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.92742"
                           xFract="0.31801309"
                           y3="2.85054"
                           yFract="0.31777745"
                           z3="5.70072"
                           zFract="0.24980777"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.19182"
                           xFract="0.14252733"
                           y3="1.24874"
                           yFract="0.13920921"
                           z3="7.5904"
                           zFract="0.34947419"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="3.51048"
                           xFract="0.14097066"
                           y3="3.5722"
                           yFract="0.39822792"
                           z3="7.75585"
                           zFract="0.34958965"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="4.87078"
                           xFract="0.40108237"
                           y3="1.25604"
                           yFract="0.14002301"
                           z3="7.82833"
                           zFract="0.35295013"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.1531"
                           xFract="0.39835411"
                           y3="3.53734"
                           yFract="0.39434173"
                           z3="7.8928"
                           zFract="0.3484797"/>
                     <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="3.63663"
                           xFract="0.06964388"
                           y3="5.07624"
                           yFract="0.5658979"
                           z3="5.70165"
                           zFract="0.24985904"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.93258"
                           xFract="0.06945983"
                           y3="7.33545"
                           yFract="0.81775404"
                           z3="5.81636"
                           zFract="0.24775496"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.22546"
                           xFract="0.31988137"
                           y3="5.07643"
                           yFract="0.56591908"
                           z3="5.84809"
                           zFract="0.24929321"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.51119"
                           xFract="0.31834568"
                           y3="7.34219"
                           yFract="0.81850541"
                           z3="5.9821"
                           zFract="0.24811767"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.81938"
                           xFract="0.14541083"
                           y3="5.77068"
                           yFract="0.64331389"
                           z3="7.85662"
                           zFract="0.34689236"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.08971"
                           xFract="0.14487652"
                           y3="7.9916"
                           yFract="0.89090147"
                           z3="8.00897"
                           zFract="0.34670087"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="7.39734"
                           xFract="0.39459369"
                           y3="5.77094"
                           yFract="0.64334288"
                           z3="8.01998"
                           zFract="0.34715555"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.68811"
                           xFract="0.39687095"
                           y3="7.97681"
                           yFract="0.88925268"
                           z3="8.15021"
                           zFract="0.34588727"/>
                     <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="6.22138"
                           xFract="0.56707411"
                           y3="0.6179"
                           yFract="0.06888333"
                           z3="5.6889"
                           zFract="0.24924548"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="7.53259"
                           xFract="0.56971402"
                           y3="2.85282"
                           yFract="0.31803162"
                           z3="5.81246"
                           zFract="0.24755521"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="8.81262"
                           xFract="0.81786109"
                           y3="0.61239"
                           yFract="0.06826908"
                           z3="5.83868"
                           zFract="0.24883969"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.11206"
                           xFract="0.81932105"
                           y3="2.84807"
                           yFract="0.3175021"
                           z3="5.98587"
                           zFract="0.24829626"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.43915"
                           xFract="0.64864352"
                           y3="1.26881"
                           yFract="0.14144661"
                           z3="7.89374"
                           zFract="0.3486018"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="8.72201"
                           xFract="0.64664271"
                           y3="3.53795"
                           yFract="0.39440974"
                           z3="8.00649"
                           zFract="0.34642649"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="9.9846"
                           xFract="0.89421403"
                           y3="1.27753"
                           yFract="0.14241871"
                           z3="7.9988"
                           zFract="0.34619584"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.25087"
                           xFract="0.89048738"
                           y3="3.54887"
                           yFract="0.3956271"
                           z3="8.15142"
                           zFract="0.34594459"/>
                     <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="8.80803"
                           xFract="0.56823319"
                           y3="5.09968"
                           yFract="0.56851099"
                           z3="5.99236"
                           zFract="0.24860462"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="10.09905"
                           xFract="0.56857271"
                           y3="7.34088"
                           yFract="0.81835938"
                           z3="6.14311"
                           zFract="0.24824411"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="11.39891"
                           xFract="0.81865385"
                           y3="5.10014"
                           yFract="0.56856227"
                           z3="6.15164"
                           zFract="0.24863782"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.6953"
                           xFract="0.81947414"
                           y3="7.34203"
                           yFract="0.81848758"
                           z3="6.29623"
                           zFract="0.24797023"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.97532"
                           xFract="0.6437596"
                           y3="5.77154"
                           yFract="0.64340976"
                           z3="8.18775"
                           zFract="0.34762605"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="11.27988"
                           xFract="0.64733655"
                           y3="7.97801"
                           yFract="0.88938646"
                           z3="8.31361"
                           zFract="0.34611092"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="12.56188"
                           xFract="0.89314128"
                           y3="5.78319"
                           yFract="0.6447085"
                           z3="8.33263"
                           zFract="0.34697407"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.86537"
                           xFract="0.89591843"
                           y3="8.0022"
                           yFract="0.89208315"
                           z3="8.48167"
                           zFract="0.34653402"/>
                     <atom elementType="Cl"
                           id="a65"
                           x3="3.19049"
                           xFract="0.19664253"
                           y3="2.01265"
                           yFract="0.22436969"
                           z3="9.58743"
                           zFract="0.43947585"/>
                     <atom elementType="H"
                           id="a66"
                           x3="6.20181"
                           xFract="0.48700069"
                           y3="2.02579"
                           yFract="0.22583454"
                           z3="8.7669"
                           zFract="0.39207705"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a4" 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 a8" order="S"/>
                     <bond atomRefs2="a4 a19" 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 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a27" 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 a42" 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 a27" order="S"/>
                     <bond atomRefs2="a8 a42" 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 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a25" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a41" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a42" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a27" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a65" order="S"/>
                     <bond atomRefs2="a14 a29" order="S"/>
                     <bond atomRefs2="a14 a25" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a66" order="S"/>
                     <bond atomRefs2="a15 a45" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a16 a66" order="S"/>
                     <bond atomRefs2="a16 a42" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a31" order="S"/>
                     <bond atomRefs2="a16 a27" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a46" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a19" 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 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a27" 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 a58" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a42" order="S"/>
                     <bond atomRefs2="a27 a57" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a58" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a57" order="S"/>
                     <bond atomRefs2="a31 a61" order="S"/>
                     <bond atomRefs2="a31 a46" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a62" order="S"/>
                     <bond atomRefs2="a32 a58" 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 a43" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a42" 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 a59" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a59" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a42 a57" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a59" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a45 a66" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a57" order="S"/>
                     <bond atomRefs2="a46 a61" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a48 a59" order="S"/>
                     <bond atomRefs2="a48 a63" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                  </bondArray>
                  <formula concise="HClCu64">
                     <atomArray count="1 1 64" elementType="H Cl Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4102.396999999995</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="1.0943"
                           xFract="0.07138014"
                           y3="0.61947"
                           yFract="0.06905835"
                           z3="5.37983"
                           zFract="0.24946458"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="2.35695"
                           xFract="0.06957313"
                           y3="2.84994"
                           yFract="0.31771056"
                           z3="5.53622"
                           zFract="0.24946978"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="3.66734"
                           xFract="0.31947546"
                           y3="0.63075"
                           yFract="0.07031584"
                           z3="5.56106"
                           zFract="0.25056613"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.92877"
                           xFract="0.31819801"
                           y3="2.84956"
                           yFract="0.3176682"
                           z3="5.69859"
                           zFract="0.24970508"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.19029"
                           xFract="0.14250327"
                           y3="1.24651"
                           yFract="0.13896061"
                           z3="7.58756"
                           zFract="0.34934843"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="3.50952"
                           xFract="0.14082511"
                           y3="3.57315"
                           yFract="0.39833382"
                           z3="7.75613"
                           zFract="0.34960404"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="4.87119"
                           xFract="0.40098151"
                           y3="1.25857"
                           yFract="0.14030505"
                           z3="7.82991"
                           zFract="0.35301922"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.15279"
                           xFract="0.3983147"
                           y3="3.53751"
                           yFract="0.39436069"
                           z3="7.89134"
                           zFract="0.34841147"/>
                     <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="3.63669"
                           xFract="0.06965801"
                           y3="5.07609"
                           yFract="0.56588118"
                           z3="5.70266"
                           zFract="0.24990674"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.93215"
                           xFract="0.06946547"
                           y3="7.3346"
                           yFract="0.81765928"
                           z3="5.81656"
                           zFract="0.24776705"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.22669"
                           xFract="0.31994973"
                           y3="5.07734"
                           yFract="0.56602053"
                           z3="5.84638"
                           zFract="0.24920752"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.5124"
                           xFract="0.31847709"
                           y3="7.34193"
                           yFract="0.81847643"
                           z3="5.98167"
                           zFract="0.24809434"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.81902"
                           xFract="0.14537547"
                           y3="5.77069"
                           yFract="0.64331501"
                           z3="7.85638"
                           zFract="0.34688207"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.08994"
                           xFract="0.14493374"
                           y3="7.99097"
                           yFract="0.89083124"
                           z3="8.0091"
                           zFract="0.34670739"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="7.39918"
                           xFract="0.39479987"
                           y3="5.77043"
                           yFract="0.64328602"
                           z3="8.01976"
                           zFract="0.34714072"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.68973"
                           xFract="0.39701811"
                           y3="7.97698"
                           yFract="0.88927164"
                           z3="8.15014"
                           zFract="0.34587901"/>
                     <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="6.22149"
                           xFract="0.56706975"
                           y3="0.61817"
                           yFract="0.06891343"
                           z3="5.68813"
                           zFract="0.2492084"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="7.53303"
                           xFract="0.56977654"
                           y3="2.85246"
                           yFract="0.31799149"
                           z3="5.81047"
                           zFract="0.24746071"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="8.81192"
                           xFract="0.81783619"
                           y3="0.61162"
                           yFract="0.06818324"
                           z3="5.84064"
                           zFract="0.24893541"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.11358"
                           xFract="0.8195013"
                           y3="2.84747"
                           yFract="0.31743521"
                           z3="5.98616"
                           zFract="0.24830655"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.43626"
                           xFract="0.64828753"
                           y3="1.27019"
                           yFract="0.14160045"
                           z3="7.89533"
                           zFract="0.3486828"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="8.72177"
                           xFract="0.64664284"
                           y3="3.53753"
                           yFract="0.39436292"
                           z3="8.0073"
                           zFract="0.34646608"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="9.98305"
                           xFract="0.89413528"
                           y3="1.27625"
                           yFract="0.14227601"
                           z3="7.99773"
                           zFract="0.34615201"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.25136"
                           xFract="0.89057307"
                           y3="3.54818"
                           yFract="0.39555017"
                           z3="8.15066"
                           zFract="0.34590849"/>
                     <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="8.80786"
                           xFract="0.56826229"
                           y3="5.09886"
                           yFract="0.56841957"
                           z3="5.99321"
                           zFract="0.24864655"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="10.09959"
                           xFract="0.56862435"
                           y3="7.34089"
                           yFract="0.81836049"
                           z3="6.14372"
                           zFract="0.2482713"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="11.3989"
                           xFract="0.81864733"
                           y3="5.10024"
                           yFract="0.56857342"
                           z3="6.15122"
                           zFract="0.24861788"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.69599"
                           xFract="0.81956749"
                           y3="7.34155"
                           yFract="0.81843407"
                           z3="6.29646"
                           zFract="0.24797988"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.97621"
                           xFract="0.64386784"
                           y3="5.77114"
                           yFract="0.64336517"
                           z3="8.18734"
                           zFract="0.34760481"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="11.27966"
                           xFract="0.64728418"
                           y3="7.97857"
                           yFract="0.88944889"
                           z3="8.31495"
                           zFract="0.3461738"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="12.56287"
                           xFract="0.8932864"
                           y3="5.7823"
                           yFract="0.64460929"
                           z3="8.33212"
                           zFract="0.34694865"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.86511"
                           xFract="0.89583666"
                           y3="8.00322"
                           yFract="0.89219686"
                           z3="8.48124"
                           zFract="0.34651279"/>
                     <atom elementType="Cl"
                           id="a65"
                           x3="3.18239"
                           xFract="0.1956824"
                           y3="2.01584"
                           yFract="0.22472531"
                           z3="9.58968"
                           zFract="0.43959998"/>
                     <atom elementType="H"
                           id="a66"
                           x3="6.20008"
                           xFract="0.48669074"
                           y3="2.02836"
                           yFract="0.22612104"
                           z3="8.76827"
                           zFract="0.39214235"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a4" 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 a8" order="S"/>
                     <bond atomRefs2="a4 a19" 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 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a27" 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 a42" 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 a27" order="S"/>
                     <bond atomRefs2="a8 a42" 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 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a25" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a41" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a42" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a27" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a65" order="S"/>
                     <bond atomRefs2="a14 a29" order="S"/>
                     <bond atomRefs2="a14 a25" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a66" order="S"/>
                     <bond atomRefs2="a15 a45" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a16 a66" order="S"/>
                     <bond atomRefs2="a16 a42" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a31" order="S"/>
                     <bond atomRefs2="a16 a27" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a46" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a19" 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 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a27" 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 a58" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a42" order="S"/>
                     <bond atomRefs2="a27 a57" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a58" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a57" order="S"/>
                     <bond atomRefs2="a31 a61" order="S"/>
                     <bond atomRefs2="a31 a46" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a62" order="S"/>
                     <bond atomRefs2="a32 a58" 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 a43" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a42" 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 a59" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a59" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a42 a57" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a59" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a45 a66" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a57" order="S"/>
                     <bond atomRefs2="a46 a61" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a48 a59" order="S"/>
                     <bond atomRefs2="a48 a63" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                  </bondArray>
                  <formula concise="HClCu64">
                     <atomArray count="1 1 64" elementType="H Cl Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4102.396999999995</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="1.09435"
                           xFract="0.07138719"
                           y3="0.61943"
                           yFract="0.06905389"
                           z3="5.37991"
                           zFract="0.24946828"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="2.35687"
                           xFract="0.06957317"
                           y3="2.8498"
                           yFract="0.31769496"
                           z3="5.53625"
                           zFract="0.24947166"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="3.66745"
                           xFract="0.31950497"
                           y3="0.63041"
                           yFract="0.07027794"
                           z3="5.56094"
                           zFract="0.25056072"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.9292"
                           xFract="0.31825734"
                           y3="2.84924"
                           yFract="0.31763253"
                           z3="5.6979"
                           zFract="0.24967184"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.18979"
                           xFract="0.14249437"
                           y3="1.2458"
                           yFract="0.13888146"
                           z3="7.58664"
                           zFract="0.34930768"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="3.50921"
                           xFract="0.14077793"
                           y3="3.57346"
                           yFract="0.39836838"
                           z3="7.75622"
                           zFract="0.34960866"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="4.87132"
                           xFract="0.4009491"
                           y3="1.25938"
                           yFract="0.14039535"
                           z3="7.83041"
                           zFract="0.35304107"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.15269"
                           xFract="0.39830226"
                           y3="3.53756"
                           yFract="0.39436626"
                           z3="7.89087"
                           zFract="0.34838951"/>
                     <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="3.63671"
                           xFract="0.06966272"
                           y3="5.07604"
                           yFract="0.56587561"
                           z3="5.70299"
                           zFract="0.24992233"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.93201"
                           xFract="0.06946693"
                           y3="7.33433"
                           yFract="0.81762918"
                           z3="5.81663"
                           zFract="0.24777121"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.22709"
                           xFract="0.31997174"
                           y3="5.07764"
                           yFract="0.56605397"
                           z3="5.84583"
                           zFract="0.24917993"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.51279"
                           xFract="0.31851923"
                           y3="7.34185"
                           yFract="0.81846751"
                           z3="5.98154"
                           zFract="0.24808722"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.8189"
                           xFract="0.14536387"
                           y3="5.77069"
                           yFract="0.64331501"
                           z3="7.8563"
                           zFract="0.34687864"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.09002"
                           xFract="0.14495314"
                           y3="7.99076"
                           yFract="0.89080783"
                           z3="8.00915"
                           zFract="0.34670987"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="7.39978"
                           xFract="0.39486731"
                           y3="5.77026"
                           yFract="0.64326707"
                           z3="8.01969"
                           zFract="0.34713597"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.69026"
                           xFract="0.39706656"
                           y3="7.97703"
                           yFract="0.88927721"
                           z3="8.15012"
                           zFract="0.34587645"/>
                     <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="6.22153"
                           xFract="0.56706862"
                           y3="0.61826"
                           yFract="0.06892346"
                           z3="5.68788"
                           zFract="0.24919635"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="7.53317"
                           xFract="0.56979674"
                           y3="2.85234"
                           yFract="0.31797811"
                           z3="5.80983"
                           zFract="0.24743033"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="8.8117"
                           xFract="0.8178288"
                           y3="0.61137"
                           yFract="0.06815537"
                           z3="5.84128"
                           zFract="0.24896664"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.11407"
                           xFract="0.81955922"
                           y3="2.84728"
                           yFract="0.31741403"
                           z3="5.98626"
                           zFract="0.24831017"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.43534"
                           xFract="0.64817361"
                           y3="1.27064"
                           yFract="0.14165061"
                           z3="7.89584"
                           zFract="0.34870875"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="8.7217"
                           xFract="0.64664385"
                           y3="3.53739"
                           yFract="0.39434731"
                           z3="8.00756"
                           zFract="0.34647877"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="9.98256"
                           xFract="0.89411123"
                           y3="1.27583"
                           yFract="0.14222919"
                           z3="7.99738"
                           zFract="0.34613762"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.25152"
                           xFract="0.89060075"
                           y3="3.54796"
                           yFract="0.39552565"
                           z3="8.15041"
                           zFract="0.34589661"/>
                     <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="8.8078"
                           xFract="0.56827093"
                           y3="5.0986"
                           yFract="0.56839059"
                           z3="5.99348"
                           zFract="0.24865989"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="10.09976"
                           xFract="0.56864078"
                           y3="7.34089"
                           yFract="0.81836049"
                           z3="6.14392"
                           zFract="0.24828024"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="11.3989"
                           xFract="0.81864567"
                           y3="5.10027"
                           yFract="0.56857676"
                           z3="6.15108"
                           zFract="0.24861123"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.69622"
                           xFract="0.81959861"
                           y3="7.34139"
                           yFract="0.81841623"
                           z3="6.29653"
                           zFract="0.24798279"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.97649"
                           xFract="0.64390157"
                           y3="5.77102"
                           yFract="0.64335179"
                           z3="8.1872"
                           zFract="0.34759761"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="11.27959"
                           xFract="0.64726742"
                           y3="7.97875"
                           yFract="0.88946896"
                           z3="8.31539"
                           zFract="0.34619445"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="12.56318"
                           xFract="0.89333247"
                           y3="5.78201"
                           yFract="0.64457696"
                           z3="8.33196"
                           zFract="0.3469407"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.86502"
                           xFract="0.89580963"
                           y3="8.00355"
                           yFract="0.89223365"
                           z3="8.4811"
                           zFract="0.3465059"/>
                     <atom elementType="Cl"
                           id="a65"
                           x3="3.17978"
                           xFract="0.19537347"
                           y3="2.01686"
                           yFract="0.22483902"
                           z3="9.5904"
                           zFract="0.43963976"/>
                     <atom elementType="H"
                           id="a66"
                           x3="6.19953"
                           xFract="0.48659149"
                           y3="2.02919"
                           yFract="0.22621357"
                           z3="8.76872"
                           zFract="0.39216377"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a4" 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 a8" order="S"/>
                     <bond atomRefs2="a4 a19" 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 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a27" 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 a42" 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 a27" order="S"/>
                     <bond atomRefs2="a8 a42" 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 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a25" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a41" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a42" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a27" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a65" order="S"/>
                     <bond atomRefs2="a14 a29" order="S"/>
                     <bond atomRefs2="a14 a25" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a66" order="S"/>
                     <bond atomRefs2="a15 a45" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a16 a66" order="S"/>
                     <bond atomRefs2="a16 a42" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a31" order="S"/>
                     <bond atomRefs2="a16 a27" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a46" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a19" 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 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a27" 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 a58" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a42" order="S"/>
                     <bond atomRefs2="a27 a57" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a58" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a57" order="S"/>
                     <bond atomRefs2="a31 a61" order="S"/>
                     <bond atomRefs2="a31 a46" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a62" order="S"/>
                     <bond atomRefs2="a32 a58" 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 a43" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a42" 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 a59" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a59" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a42 a57" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a59" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a45 a66" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a57" order="S"/>
                     <bond atomRefs2="a46 a61" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a48 a59" order="S"/>
                     <bond atomRefs2="a48 a63" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                  </bondArray>
                  <formula concise="HClCu64">
                     <atomArray count="1 1 64" elementType="H Cl Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4102.396999999995</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="1.09278"
                           xFract="0.0713576"
                           y3="0.61723"
                           yFract="0.06880864"
                           z3="5.37841"
                           zFract="0.24940576"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="2.35838"
                           xFract="0.06977022"
                           y3="2.84888"
                           yFract="0.31759239"
                           z3="5.53596"
                           zFract="0.24945517"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="3.66933"
                           xFract="0.31969225"
                           y3="0.63031"
                           yFract="0.07026679"
                           z3="5.56234"
                           zFract="0.25062147"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.93011"
                           xFract="0.31834808"
                           y3="2.84919"
                           yFract="0.31762695"
                           z3="5.69504"
                           zFract="0.24953445"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.1903"
                           xFract="0.14261419"
                           y3="1.24453"
                           yFract="0.13873988"
                           z3="7.58642"
                           zFract="0.34929796"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="3.50686"
                           xFract="0.14056465"
                           y3="3.57321"
                           yFract="0.39834051"
                           z3="7.7569"
                           zFract="0.34964792"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="4.87004"
                           xFract="0.4006721"
                           y3="1.26214"
                           yFract="0.14070304"
                           z3="7.83035"
                           zFract="0.35303732"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.1527"
                           xFract="0.39833432"
                           y3="3.5370"
                           yFract="0.39430383"
                           z3="7.88805"
                           zFract="0.34825746"/>
                     <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="3.6379"
                           xFract="0.06983939"
                           y3="5.07493"
                           yFract="0.56575186"
                           z3="5.7028"
                           zFract="0.24991179"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.93214"
                           xFract="0.06943452"
                           y3="7.33514"
                           yFract="0.81771948"
                           z3="5.81667"
                           zFract="0.24777137"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.22814"
                           xFract="0.32013765"
                           y3="5.07648"
                           yFract="0.56592466"
                           z3="5.84762"
                           zFract="0.24926323"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.51382"
                           xFract="0.31859824"
                           y3="7.34222"
                           yFract="0.81850876"
                           z3="5.98155"
                           zFract="0.2480841"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.82039"
                           xFract="0.14542516"
                           y3="5.77218"
                           yFract="0.64348111"
                           z3="7.85471"
                           zFract="0.34679689"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.0900"
                           xFract="0.14503616"
                           y3="7.98923"
                           yFract="0.89063726"
                           z3="8.00879"
                           zFract="0.34669551"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="7.4005"
                           xFract="0.3950141"
                           y3="5.76887"
                           yFract="0.64311211"
                           z3="8.01829"
                           zFract="0.34707021"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.69289"
                           xFract="0.39716641"
                           y3="7.97981"
                           yFract="0.88958712"
                           z3="8.15052"
                           zFract="0.34588308"/>
                     <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="6.22102"
                           xFract="0.5670432"
                           y3="0.61783"
                           yFract="0.06887553"
                           z3="5.68748"
                           zFract="0.24917968"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="7.5333"
                           xFract="0.56975822"
                           y3="2.85326"
                           yFract="0.31808068"
                           z3="5.80953"
                           zFract="0.24741427"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="8.80783"
                           xFract="0.81740918"
                           y3="0.61219"
                           yFract="0.06824678"
                           z3="5.84136"
                           zFract="0.24898021"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.11519"
                           xFract="0.81974078"
                           y3="2.84596"
                           yFract="0.31726687"
                           z3="5.98666"
                           zFract="0.248328"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.43414"
                           xFract="0.6480093"
                           y3="1.27151"
                           yFract="0.1417476"
                           z3="7.8964"
                           zFract="0.34873716"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="8.72027"
                           xFract="0.64654393"
                           y3="3.5367"
                           yFract="0.39427039"
                           z3="8.00793"
                           zFract="0.3465015"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="9.9797"
                           xFract="0.89387698"
                           y3="1.27507"
                           yFract="0.14214447"
                           z3="7.99793"
                           zFract="0.34617307"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.25126"
                           xFract="0.89072444"
                           y3="3.54528"
                           yFract="0.39522688"
                           z3="8.14979"
                           zFract="0.34587261"/>
                     <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="8.80954"
                           xFract="0.56852909"
                           y3="5.09698"
                           yFract="0.56820999"
                           z3="5.99403"
                           zFract="0.24868351"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="10.10182"
                           xFract="0.56893043"
                           y3="7.33926"
                           yFract="0.81817878"
                           z3="6.14444"
                           zFract="0.24830153"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="11.39951"
                           xFract="0.81870907"
                           y3="5.10019"
                           yFract="0.56856784"
                           z3="6.14976"
                           zFract="0.24854736"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.69568"
                           xFract="0.81956307"
                           y3="7.34109"
                           yFract="0.81838279"
                           z3="6.2971"
                           zFract="0.24801172"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.97938"
                           xFract="0.6442559"
                           y3="5.76967"
                           yFract="0.6432013"
                           z3="8.18676"
                           zFract="0.34757078"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="11.27887"
                           xFract="0.6470862"
                           y3="7.98076"
                           yFract="0.88969303"
                           z3="8.31741"
                           zFract="0.34628841"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="12.56348"
                           xFract="0.89331093"
                           y3="5.78292"
                           yFract="0.6446784"
                           z3="8.3317"
                           zFract="0.34692606"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.86272"
                           xFract="0.89556176"
                           y3="8.00401"
                           yFract="0.89228493"
                           z3="8.48235"
                           zFract="0.3465707"/>
                     <atom elementType="Cl"
                           id="a65"
                           x3="3.16761"
                           xFract="0.19391774"
                           y3="2.02189"
                           yFract="0.22539977"
                           z3="9.58922"
                           zFract="0.43961084"/>
                     <atom elementType="H"
                           id="a66"
                           x3="6.19374"
                           xFract="0.48587465"
                           y3="2.03202"
                           yFract="0.22652906"
                           z3="8.77335"
                           zFract="0.39239405"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a4" 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 a8" order="S"/>
                     <bond atomRefs2="a4 a19" 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 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a27" 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 a42" 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 a27" order="S"/>
                     <bond atomRefs2="a8 a42" 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 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a25" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a41" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a42" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a27" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a65" order="S"/>
                     <bond atomRefs2="a14 a29" order="S"/>
                     <bond atomRefs2="a14 a25" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a66" order="S"/>
                     <bond atomRefs2="a15 a45" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a16 a66" order="S"/>
                     <bond atomRefs2="a16 a42" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a31" order="S"/>
                     <bond atomRefs2="a16 a27" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a46" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a19" 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 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a27" 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 a58" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a42" order="S"/>
                     <bond atomRefs2="a27 a57" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a58" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a57" order="S"/>
                     <bond atomRefs2="a31 a61" order="S"/>
                     <bond atomRefs2="a31 a46" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a62" order="S"/>
                     <bond atomRefs2="a32 a58" 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 a43" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a42" 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 a59" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a59" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a42 a57" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a59" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a45 a66" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a57" order="S"/>
                     <bond atomRefs2="a46 a61" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a48 a59" order="S"/>
                     <bond atomRefs2="a48 a63" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                  </bondArray>
                  <formula concise="HClCu64">
                     <atomArray count="1 1 64" elementType="H Cl Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4102.396999999995</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="1.09219"
                           xFract="0.07134721"
                           y3="0.61639"
                           yFract="0.068715"
                           z3="5.37784"
                           zFract="0.24938199"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="2.35895"
                           xFract="0.06984476"
                           y3="2.84853"
                           yFract="0.31755338"
                           z3="5.53585"
                           zFract="0.24944892"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="3.67005"
                           xFract="0.31976352"
                           y3="0.63028"
                           yFract="0.07026345"
                           z3="5.56288"
                           zFract="0.2506449"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.93046"
                           xFract="0.31838303"
                           y3="2.84917"
                           yFract="0.31762472"
                           z3="5.69395"
                           zFract="0.24948208"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.1905"
                           xFract="0.14266073"
                           y3="1.24404"
                           yFract="0.13868525"
                           z3="7.58634"
                           zFract="0.34929443"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="3.50596"
                           xFract="0.14048321"
                           y3="3.57311"
                           yFract="0.39832936"
                           z3="7.75716"
                           zFract="0.34966294"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="4.86955"
                           xFract="0.40056643"
                           y3="1.26319"
                           yFract="0.14082009"
                           z3="7.83033"
                           zFract="0.35303604"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.15271"
                           xFract="0.39834695"
                           y3="3.53679"
                           yFract="0.39428042"
                           z3="7.88697"
                           zFract="0.34820686"/>
                     <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="3.63835"
                           xFract="0.06990677"
                           y3="5.0745"
                           yFract="0.56570393"
                           z3="5.70272"
                           zFract="0.24990744"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.93219"
                           xFract="0.06942269"
                           y3="7.33544"
                           yFract="0.81775293"
                           z3="5.81669"
                           zFract="0.24777166"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.22854"
                           xFract="0.32020075"
                           y3="5.07604"
                           yFract="0.56587561"
                           z3="5.84829"
                           zFract="0.2492944"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.51422"
                           xFract="0.31862914"
                           y3="7.34236"
                           yFract="0.81852437"
                           z3="5.98156"
                           zFract="0.24808318"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.82096"
                           xFract="0.14544861"
                           y3="5.77275"
                           yFract="0.64354465"
                           z3="7.8541"
                           zFract="0.34676553"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.08999"
                           xFract="0.14506741"
                           y3="7.98865"
                           yFract="0.8905726"
                           z3="8.00865"
                           zFract="0.3466899"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="7.40078"
                           xFract="0.39507059"
                           y3="5.76834"
                           yFract="0.64305303"
                           z3="8.01776"
                           zFract="0.3470453"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.69389"
                           xFract="0.39720366"
                           y3="7.98088"
                           yFract="0.88970641"
                           z3="8.15067"
                           zFract="0.34588548"/>
                     <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="6.22082"
                           xFract="0.56703275"
                           y3="0.61767"
                           yFract="0.06885769"
                           z3="5.68733"
                           zFract="0.24917345"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="7.53335"
                           xFract="0.56974306"
                           y3="2.85362"
                           yFract="0.31812081"
                           z3="5.80942"
                           zFract="0.24740834"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="8.80636"
                           xFract="0.81724986"
                           y3="0.6125"
                           yFract="0.06828134"
                           z3="5.84139"
                           zFract="0.24898535"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.11561"
                           xFract="0.81980915"
                           y3="2.84546"
                           yFract="0.31721113"
                           z3="5.98681"
                           zFract="0.24833469"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.43368"
                           xFract="0.64794651"
                           y3="1.27184"
                           yFract="0.14178439"
                           z3="7.89662"
                           zFract="0.34874831"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="8.71973"
                           xFract="0.64650673"
                           y3="3.53643"
                           yFract="0.39424029"
                           z3="8.00807"
                           zFract="0.34651011"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="9.97861"
                           xFract="0.89378827"
                           y3="1.27477"
                           yFract="0.14211102"
                           z3="7.99814"
                           zFract="0.34618662"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.25117"
                           xFract="0.89077238"
                           y3="3.54426"
                           yFract="0.39511317"
                           z3="8.14956"
                           zFract="0.34586373"/>
                     <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="8.81021"
                           xFract="0.56862828"
                           y3="5.09636"
                           yFract="0.56814087"
                           z3="5.99424"
                           zFract="0.24869251"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="10.1026"
                           xFract="0.56904025"
                           y3="7.33864"
                           yFract="0.81810966"
                           z3="6.14463"
                           zFract="0.24830928"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="11.39975"
                           xFract="0.81873394"
                           y3="5.10016"
                           yFract="0.5685645"
                           z3="6.14925"
                           zFract="0.24852267"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.69548"
                           xFract="0.81954984"
                           y3="7.34098"
                           yFract="0.81837052"
                           z3="6.29732"
                           zFract="0.24802285"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.98048"
                           xFract="0.64439055"
                           y3="5.76916"
                           yFract="0.64314444"
                           z3="8.18658"
                           zFract="0.34755997"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="11.27859"
                           xFract="0.64701638"
                           y3="7.98153"
                           yFract="0.88977887"
                           z3="8.31818"
                           zFract="0.34632424"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="12.56359"
                           xFract="0.89330268"
                           y3="5.78326"
                           yFract="0.64471631"
                           z3="8.3316"
                           zFract="0.34692046"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.86185"
                           xFract="0.89546766"
                           y3="8.00419"
                           yFract="0.892305"
                           z3="8.48283"
                           zFract="0.34659555"/>
                     <atom elementType="Cl"
                           id="a65"
                           x3="3.16296"
                           xFract="0.19336163"
                           y3="2.02381"
                           yFract="0.22561381"
                           z3="9.58877"
                           zFract="0.43959983"/>
                     <atom elementType="H"
                           id="a66"
                           x3="6.19154"
                           xFract="0.48560201"
                           y3="2.0331"
                           yFract="0.22664945"
                           z3="8.77512"
                           zFract="0.39248205"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a4" 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 a8" order="S"/>
                     <bond atomRefs2="a4 a19" 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 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a27" 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 a42" 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 a27" order="S"/>
                     <bond atomRefs2="a8 a42" 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 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a25" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a41" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a42" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a27" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a65" order="S"/>
                     <bond atomRefs2="a14 a29" order="S"/>
                     <bond atomRefs2="a14 a25" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a66" order="S"/>
                     <bond atomRefs2="a15 a45" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a16 a66" order="S"/>
                     <bond atomRefs2="a16 a42" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a31" order="S"/>
                     <bond atomRefs2="a16 a27" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a46" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a19" 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 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a27" 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 a58" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a42" order="S"/>
                     <bond atomRefs2="a27 a57" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a58" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a61" order="S"/>
                     <bond atomRefs2="a31 a46" order="S"/>
                     <bond atomRefs2="a31 a57" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a62" order="S"/>
                     <bond atomRefs2="a32 a58" 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 a43" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a42" 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 a59" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a59" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a57" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a44 a59" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a45 a66" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a46 a61" order="S"/>
                     <bond atomRefs2="a46 a57" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a48 a59" order="S"/>
                     <bond atomRefs2="a48 a63" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                  </bondArray>
                  <formula concise="HClCu64">
                     <atomArray count="1 1 64" elementType="H Cl Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4102.396999999995</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="1.09099"
                           xFract="0.07132395"
                           y3="0.61472"
                           yFract="0.06852882"
                           z3="5.3767"
                           zFract="0.24933449"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="2.3601"
                           xFract="0.06999535"
                           y3="2.84782"
                           yFract="0.31747423"
                           z3="5.53562"
                           zFract="0.24943595"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="3.67149"
                           xFract="0.31990716"
                           y3="0.6302"
                           yFract="0.07025453"
                           z3="5.56394"
                           zFract="0.25069086"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.93115"
                           xFract="0.3184525"
                           y3="2.84912"
                           yFract="0.31761915"
                           z3="5.69177"
                           zFract="0.24937739"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.19089"
                           xFract="0.1427523"
                           y3="1.24307"
                           yFract="0.13857712"
                           z3="7.58617"
                           zFract="0.3492869"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="3.50416"
                           xFract="0.14032032"
                           y3="3.57291"
                           yFract="0.39830707"
                           z3="7.75768"
                           zFract="0.34969299"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="4.86857"
                           xFract="0.40035508"
                           y3="1.26529"
                           yFract="0.1410542"
                           z3="7.83028"
                           zFract="0.353033"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.15272"
                           xFract="0.39837179"
                           y3="3.53636"
                           yFract="0.39423248"
                           z3="7.88482"
                           zFract="0.34810617"/>
                     <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="3.63926"
                           xFract="0.07004138"
                           y3="5.07366"
                           yFract="0.56561028"
                           z3="5.70258"
                           zFract="0.24989961"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.93228"
                           xFract="0.06939696"
                           y3="7.33606"
                           yFract="0.81782204"
                           z3="5.81672"
                           zFract="0.24777178"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.22934"
                           xFract="0.32032695"
                           y3="5.07516"
                           yFract="0.5657775"
                           z3="5.84965"
                           zFract="0.24935769"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.51501"
                           xFract="0.31868995"
                           y3="7.34264"
                           yFract="0.81855558"
                           z3="5.98157"
                           zFract="0.24808091"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.8221"
                           xFract="0.1454955"
                           y3="5.77389"
                           yFract="0.64367174"
                           z3="7.85288"
                           zFract="0.34670282"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.08997"
                           xFract="0.14512989"
                           y3="7.98749"
                           yFract="0.89044329"
                           z3="8.00838"
                           zFract="0.34667917"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="7.40133"
                           xFract="0.39518262"
                           y3="5.76728"
                           yFract="0.64293486"
                           z3="8.01669"
                           zFract="0.34699503"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.6959"
                           xFract="0.39728023"
                           y3="7.9830"
                           yFract="0.88994274"
                           z3="8.15097"
                           zFract="0.34589028"/>
                     <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="6.22044"
                           xFract="0.56701435"
                           y3="0.61734"
                           yFract="0.0688209"
                           z3="5.68703"
                           zFract="0.24916096"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="7.53345"
                           xFract="0.56971385"
                           y3="2.85432"
                           yFract="0.31819884"
                           z3="5.80919"
                           zFract="0.24739604"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="8.80341"
                           xFract="0.81693027"
                           y3="0.61312"
                           yFract="0.06835046"
                           z3="5.84145"
                           zFract="0.24899565"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.11647"
                           xFract="0.81994837"
                           y3="2.84445"
                           yFract="0.31709854"
                           z3="5.98712"
                           zFract="0.24834852"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.43277"
                           xFract="0.64782189"
                           y3="1.2725"
                           yFract="0.14185797"
                           z3="7.89705"
                           zFract="0.34877011"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="8.71864"
                           xFract="0.64643079"
                           y3="3.5359"
                           yFract="0.3941812"
                           z3="8.00836"
                           zFract="0.34652781"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="9.97643"
                           xFract="0.89361031"
                           y3="1.27418"
                           yFract="0.14204525"
                           z3="7.99856"
                           zFract="0.3462137"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.25097"
                           xFract="0.89086689"
                           y3="3.54221"
                           yFract="0.39488464"
                           z3="8.14909"
                           zFract="0.34584557"/>
                     <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="8.81153"
                           xFract="0.56882474"
                           y3="5.09512"
                           yFract="0.56800264"
                           z3="5.99466"
                           zFract="0.24871058"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="10.10416"
                           xFract="0.56925991"
                           y3="7.3374"
                           yFract="0.81797143"
                           z3="6.14503"
                           zFract="0.24832571"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="11.40022"
                           xFract="0.8187827"
                           y3="5.1001"
                           yFract="0.56855781"
                           z3="6.14824"
                           zFract="0.2484738"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.69507"
                           xFract="0.81952243"
                           y3="7.34076"
                           yFract="0.818346"
                           z3="6.29775"
                           zFract="0.24804468"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.98269"
                           xFract="0.64466138"
                           y3="5.76813"
                           yFract="0.64302962"
                           z3="8.18624"
                           zFract="0.34753928"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="11.27804"
                           xFract="0.6468777"
                           y3="7.98307"
                           yFract="0.88995055"
                           z3="8.31973"
                           zFract="0.34639634"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="12.56382"
                           xFract="0.89328605"
                           y3="5.78396"
                           yFract="0.64479434"
                           z3="8.3314"
                           zFract="0.34690919"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.86009"
                           xFract="0.89527754"
                           y3="8.00455"
                           yFract="0.89234513"
                           z3="8.48379"
                           zFract="0.34664529"/>
                     <atom elementType="Cl"
                           id="a65"
                           x3="3.15366"
                           xFract="0.19224885"
                           y3="2.02766"
                           yFract="0.226043"
                           z3="9.58787"
                           zFract="0.4395778"/>
                     <atom elementType="H"
                           id="a66"
                           x3="6.18712"
                           xFract="0.48505481"
                           y3="2.03526"
                           yFract="0.22689025"
                           z3="8.77865"
                           zFract="0.39265763"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a4" 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 a8" order="S"/>
                     <bond atomRefs2="a4 a19" 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 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a27" 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 a42" 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 a27" order="S"/>
                     <bond atomRefs2="a8 a42" 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 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a25" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a41" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a42" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a27" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a65" order="S"/>
                     <bond atomRefs2="a14 a29" order="S"/>
                     <bond atomRefs2="a14 a25" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a66" order="S"/>
                     <bond atomRefs2="a15 a45" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a16 a66" order="S"/>
                     <bond atomRefs2="a16 a42" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a31" order="S"/>
                     <bond atomRefs2="a16 a27" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a46" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a19" 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 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a27" 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 a58" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a42" order="S"/>
                     <bond atomRefs2="a27 a57" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a58" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a61" order="S"/>
                     <bond atomRefs2="a31 a46" order="S"/>
                     <bond atomRefs2="a31 a57" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a62" order="S"/>
                     <bond atomRefs2="a32 a58" 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 a43" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a42" 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 a59" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a59" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a57" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a44 a59" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a45 a66" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a46 a61" order="S"/>
                     <bond atomRefs2="a46 a57" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a48 a59" order="S"/>
                     <bond atomRefs2="a48 a63" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                  </bondArray>
                  <formula concise="HClCu64">
                     <atomArray count="1 1 64" elementType="H Cl Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4102.396999999995</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="1.09155"
                           xFract="0.07133477"
                           y3="0.6155"
                           yFract="0.06861578"
                           z3="5.37724"
                           zFract="0.24935703"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="2.35956"
                           xFract="0.06992482"
                           y3="2.84815"
                           yFract="0.31751101"
                           z3="5.53573"
                           zFract="0.24944214"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="3.67082"
                           xFract="0.31984017"
                           y3="0.63024"
                           yFract="0.07025899"
                           z3="5.56344"
                           zFract="0.25066915"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.93083"
                           xFract="0.31842046"
                           y3="2.84914"
                           yFract="0.31762138"
                           z3="5.6928"
                           zFract="0.24942684"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.1907"
                           xFract="0.14270894"
                           y3="1.24352"
                           yFract="0.13862728"
                           z3="7.58625"
                           zFract="0.34929047"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="3.5050"
                           xFract="0.14039596"
                           y3="3.57301"
                           yFract="0.39831822"
                           z3="7.75743"
                           zFract="0.34967861"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="4.86903"
                           xFract="0.40045452"
                           y3="1.2643"
                           yFract="0.14094383"
                           z3="7.8303"
                           zFract="0.35303427"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.15271"
                           xFract="0.39835972"
                           y3="3.53656"
                           yFract="0.39425478"
                           z3="7.88583"
                           zFract="0.34815349"/>
                     <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="3.63884"
                           xFract="0.06997912"
                           y3="5.07405"
                           yFract="0.56565376"
                           z3="5.70265"
                           zFract="0.24990347"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.93224"
                           xFract="0.0694092"
                           y3="7.33577"
                           yFract="0.81778971"
                           z3="5.81671"
                           zFract="0.24777191"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.22897"
                           xFract="0.32026842"
                           y3="5.07557"
                           yFract="0.56582321"
                           z3="5.84902"
                           zFract="0.24932837"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.51464"
                           xFract="0.31866141"
                           y3="7.34251"
                           yFract="0.81854109"
                           z3="5.98156"
                           zFract="0.24808172"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.82157"
                           xFract="0.1454737"
                           y3="5.77336"
                           yFract="0.64361266"
                           z3="7.85345"
                           zFract="0.34673211"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.08998"
                           xFract="0.14510087"
                           y3="7.98803"
                           yFract="0.89050349"
                           z3="8.00851"
                           zFract="0.34668437"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="7.40107"
                           xFract="0.39512972"
                           y3="5.76778"
                           yFract="0.6429906"
                           z3="8.01719"
                           zFract="0.34701852"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.69496"
                           xFract="0.39724489"
                           y3="7.9820"
                           yFract="0.88983126"
                           z3="8.15083"
                           zFract="0.34588806"/>
                     <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="6.22062"
                           xFract="0.56702286"
                           y3="0.6175"
                           yFract="0.06883874"
                           z3="5.68717"
                           zFract="0.24916677"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="7.5334"
                           xFract="0.56972735"
                           y3="2.85399"
                           yFract="0.31816206"
                           z3="5.8093"
                           zFract="0.24740192"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="8.80479"
                           xFract="0.81707978"
                           y3="0.61283"
                           yFract="0.06831813"
                           z3="5.84142"
                           zFract="0.24899074"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.11607"
                           xFract="0.8198836"
                           y3="2.84492"
                           yFract="0.31715093"
                           z3="5.98697"
                           zFract="0.24834181"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.4332"
                           xFract="0.64788067"
                           y3="1.27219"
                           yFract="0.14182341"
                           z3="7.89685"
                           zFract="0.34875996"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="8.71915"
                           xFract="0.64646621"
                           y3="3.53615"
                           yFract="0.39420907"
                           z3="8.00822"
                           zFract="0.34651932"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="9.97746"
                           xFract="0.89369432"
                           y3="1.27446"
                           yFract="0.14207647"
                           z3="7.99836"
                           zFract="0.34620083"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.25106"
                           xFract="0.89082228"
                           y3="3.54317"
                           yFract="0.39499166"
                           z3="8.14931"
                           zFract="0.34585408"/>
                     <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="8.81091"
                           xFract="0.5687326"
                           y3="5.0957"
                           yFract="0.5680673"
                           z3="5.99446"
                           zFract="0.24870197"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="10.10343"
                           xFract="0.56915714"
                           y3="7.33798"
                           yFract="0.81803608"
                           z3="6.14484"
                           zFract="0.24831789"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="11.4000"
                           xFract="0.81875977"
                           y3="5.10013"
                           yFract="0.56856115"
                           z3="6.14872"
                           zFract="0.24849701"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.69526"
                           xFract="0.81953524"
                           y3="7.34086"
                           yFract="0.81835715"
                           z3="6.29754"
                           zFract="0.24803406"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.98165"
                           xFract="0.64453419"
                           y3="5.76861"
                           yFract="0.64308313"
                           z3="8.1864"
                           zFract="0.34754902"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="11.2783"
                           xFract="0.64694281"
                           y3="7.98235"
                           yFract="0.88987028"
                           z3="8.3190"
                           zFract="0.34636237"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="12.56371"
                           xFract="0.89329374"
                           y3="5.78363"
                           yFract="0.64475755"
                           z3="8.33149"
                           zFract="0.34691431"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.86091"
                           xFract="0.89536625"
                           y3="8.00438"
                           yFract="0.89232618"
                           z3="8.48334"
                           zFract="0.34662199"/>
                     <atom elementType="Cl"
                           id="a65"
                           x3="3.15802"
                           xFract="0.19277082"
                           y3="2.02585"
                           yFract="0.22584123"
                           z3="9.58829"
                           zFract="0.43958805"/>
                     <atom elementType="H"
                           id="a66"
                           x3="6.18919"
                           xFract="0.48531099"
                           y3="2.03425"
                           yFract="0.22677766"
                           z3="8.77699"
                           zFract="0.39257508"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a4" 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 a8" order="S"/>
                     <bond atomRefs2="a4 a19" 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 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a27" 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 a42" 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 a27" order="S"/>
                     <bond atomRefs2="a8 a42" 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 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a25" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a41" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a42" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a27" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a65" order="S"/>
                     <bond atomRefs2="a14 a29" order="S"/>
                     <bond atomRefs2="a14 a25" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a66" order="S"/>
                     <bond atomRefs2="a15 a45" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a16 a66" order="S"/>
                     <bond atomRefs2="a16 a42" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a31" order="S"/>
                     <bond atomRefs2="a16 a27" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a46" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a19" 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 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a27" 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 a58" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a42" order="S"/>
                     <bond atomRefs2="a27 a57" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a58" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a61" order="S"/>
                     <bond atomRefs2="a31 a46" order="S"/>
                     <bond atomRefs2="a31 a57" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a62" order="S"/>
                     <bond atomRefs2="a32 a58" 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 a43" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a42" 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 a59" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a59" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a57" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a44 a59" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a45 a66" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a46 a61" order="S"/>
                     <bond atomRefs2="a46 a57" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a48 a59" order="S"/>
                     <bond atomRefs2="a48 a63" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                  </bondArray>
                  <formula concise="HClCu64">
                     <atomArray count="1 1 64" elementType="H Cl Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4102.396999999995</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="1.09036"
                           xFract="0.07125195"
                           y3="0.61492"
                           yFract="0.06855112"
                           z3="5.3777"
                           zFract="0.24938312"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="2.36056"
                           xFract="0.07010534"
                           y3="2.84664"
                           yFract="0.31734268"
                           z3="5.53512"
                           zFract="0.24941301"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="3.67083"
                           xFract="0.31980226"
                           y3="0.63094"
                           yFract="0.07033703"
                           z3="5.56389"
                           zFract="0.25068917"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.92988"
                           xFract="0.31827587"
                           y3="2.85009"
                           yFract="0.31772728"
                           z3="5.69373"
                           zFract="0.24947185"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.18939"
                           xFract="0.14264395"
                           y3="1.24241"
                           yFract="0.13850354"
                           z3="7.58598"
                           zFract="0.34928338"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="3.50512"
                           xFract="0.1403698"
                           y3="3.57369"
                           yFract="0.39839402"
                           z3="7.7564"
                           zFract="0.34962856"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="4.86792"
                           xFract="0.40025726"
                           y3="1.26592"
                           yFract="0.14112443"
                           z3="7.82856"
                           zFract="0.35295273"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.15098"
                           xFract="0.39831188"
                           y3="3.53441"
                           yFract="0.3940151"
                           z3="7.88611"
                           zFract="0.34817528"/>
                     <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="3.63977"
                           xFract="0.07007402"
                           y3="5.07396"
                           yFract="0.56564373"
                           z3="5.70181"
                           zFract="0.24986133"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.93139"
                           xFract="0.06924818"
                           y3="7.33719"
                           yFract="0.81794801"
                           z3="5.81617"
                           zFract="0.24774653"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.2291"
                           xFract="0.32029043"
                           y3="5.0754"
                           yFract="0.56580426"
                           z3="5.84986"
                           zFract="0.24936788"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.51579"
                           xFract="0.31878867"
                           y3="7.34222"
                           yFract="0.81850876"
                           z3="5.98272"
                           zFract="0.24813358"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.82199"
                           xFract="0.14549209"
                           y3="5.77376"
                           yFract="0.64365725"
                           z3="7.85266"
                           zFract="0.34669298"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.09018"
                           xFract="0.14510521"
                           y3="7.9883"
                           yFract="0.89053359"
                           z3="8.00799"
                           zFract="0.34665882"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="7.4026"
                           xFract="0.39520654"
                           y3="5.76906"
                           yFract="0.64313329"
                           z3="8.01647"
                           zFract="0.34697802"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.6954"
                           xFract="0.39732963"
                           y3="7.98124"
                           yFract="0.88974654"
                           z3="8.15132"
                           zFract="0.34591117"/>
                     <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="6.22002"
                           xFract="0.56698596"
                           y3="0.61712"
                           yFract="0.06879638"
                           z3="5.68835"
                           zFract="0.24922477"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="7.53372"
                           xFract="0.56975439"
                           y3="2.85406"
                           yFract="0.31816986"
                           z3="5.81067"
                           zFract="0.24746548"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="8.80295"
                           xFract="0.81684805"
                           y3="0.6138"
                           yFract="0.06842626"
                           z3="5.83946"
                           zFract="0.24890202"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.11529"
                           xFract="0.81988872"
                           y3="2.84347"
                           yFract="0.31698929"
                           z3="5.98687"
                           zFract="0.24834177"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.42914"
                           xFract="0.64737993"
                           y3="1.27414"
                           yFract="0.14204079"
                           z3="7.89946"
                           zFract="0.34889148"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="8.7198"
                           xFract="0.64655625"
                           y3="3.53566"
                           yFract="0.39415445"
                           z3="8.00773"
                           zFract="0.34649516"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="9.97792"
                           xFract="0.89376267"
                           y3="1.27403"
                           yFract="0.14202853"
                           z3="7.99916"
                           zFract="0.34623794"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.24956"
                           xFract="0.89077946"
                           y3="3.54133"
                           yFract="0.39478654"
                           z3="8.14874"
                           zFract="0.3458346"/>
                     <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="8.81317"
                           xFract="0.56894273"
                           y3="5.09585"
                           yFract="0.56808402"
                           z3="5.99344"
                           zFract="0.2486471"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="10.10397"
                           xFract="0.56930096"
                           y3="7.33633"
                           yFract="0.81785214"
                           z3="6.14481"
                           zFract="0.24831767"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="11.40272"
                           xFract="0.81917985"
                           y3="5.0973"
                           yFract="0.56824567"
                           z3="6.14917"
                           zFract="0.24851511"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.69486"
                           xFract="0.8194988"
                           y3="7.34082"
                           yFract="0.81835269"
                           z3="6.29796"
                           zFract="0.24805509"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.98313"
                           xFract="0.64471557"
                           y3="5.76792"
                           yFract="0.64300621"
                           z3="8.18655"
                           zFract="0.34755298"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="11.27788"
                           xFract="0.64680503"
                           y3="7.9841"
                           yFract="0.89006537"
                           z3="8.31974"
                           zFract="0.34639555"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="12.56317"
                           xFract="0.89316324"
                           y3="5.78504"
                           yFract="0.64491474"
                           z3="8.33125"
                           zFract="0.34690219"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.85906"
                           xFract="0.89522574"
                           y3="8.00369"
                           yFract="0.89224926"
                           z3="8.48498"
                           zFract="0.3467058"/>
                     <atom elementType="Cl"
                           id="a65"
                           x3="3.14722"
                           xFract="0.19135423"
                           y3="2.03256"
                           yFract="0.22658926"
                           z3="9.58722"
                           zFract="0.43955756"/>
                     <atom elementType="H"
                           id="a66"
                           x3="6.1846"
                           xFract="0.48486619"
                           y3="2.03427"
                           yFract="0.22677989"
                           z3="8.77867"
                           zFract="0.3926675"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a4" 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 a8" order="S"/>
                     <bond atomRefs2="a4 a19" 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 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a27" 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 a42" 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 a27" order="S"/>
                     <bond atomRefs2="a8 a42" 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 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a25" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a41" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a42" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a27" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a65" order="S"/>
                     <bond atomRefs2="a14 a29" order="S"/>
                     <bond atomRefs2="a14 a25" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a66" order="S"/>
                     <bond atomRefs2="a15 a45" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a16 a66" order="S"/>
                     <bond atomRefs2="a16 a42" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a31" order="S"/>
                     <bond atomRefs2="a16 a27" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a46" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a19" 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 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a27" 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 a58" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a42" order="S"/>
                     <bond atomRefs2="a27 a57" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a58" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a61" order="S"/>
                     <bond atomRefs2="a31 a46" order="S"/>
                     <bond atomRefs2="a31 a57" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a62" order="S"/>
                     <bond atomRefs2="a32 a58" 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 a43" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a42" 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 a59" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a59" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a57" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a44 a59" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a45 a66" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a46 a61" order="S"/>
                     <bond atomRefs2="a46 a57" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a48 a59" order="S"/>
                     <bond atomRefs2="a48 a63" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                  </bondArray>
                  <formula concise="HClCu64">
                     <atomArray count="1 1 64" elementType="H Cl Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4102.396999999995</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="1.08985"
                           xFract="0.07121653"
                           y3="0.61467"
                           yFract="0.06852325"
                           z3="5.3779"
                           zFract="0.24939444"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="2.36099"
                           xFract="0.07018245"
                           y3="2.8460"
                           yFract="0.31727133"
                           z3="5.53486"
                           zFract="0.24940058"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="3.67084"
                           xFract="0.31978713"
                           y3="0.63123"
                           yFract="0.07036935"
                           z3="5.56408"
                           zFract="0.25069762"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.92947"
                           xFract="0.31821403"
                           y3="2.85049"
                           yFract="0.31777188"
                           z3="5.69413"
                           zFract="0.24949122"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.18883"
                           xFract="0.14261592"
                           y3="1.24194"
                           yFract="0.13845115"
                           z3="7.58587"
                           zFract="0.34928059"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="3.50517"
                           xFract="0.14035853"
                           y3="3.57398"
                           yFract="0.39842635"
                           z3="7.75596"
                           zFract="0.34960719"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="4.86744"
                           xFract="0.40017255"
                           y3="1.26661"
                           yFract="0.14120135"
                           z3="7.82781"
                           zFract="0.3529176"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.15023"
                           xFract="0.39829047"
                           y3="3.53349"
                           yFract="0.39391254"
                           z3="7.88624"
                           zFract="0.34818511"/>
                     <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="3.64017"
                           xFract="0.0701149"
                           y3="5.07392"
                           yFract="0.56563927"
                           z3="5.70146"
                           zFract="0.24984374"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.93103"
                           xFract="0.0691795"
                           y3="7.3378"
                           yFract="0.81801602"
                           z3="5.81594"
                           zFract="0.24773571"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.22916"
                           xFract="0.32030011"
                           y3="5.07533"
                           yFract="0.56579646"
                           z3="5.85022"
                           zFract="0.2493848"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.51629"
                           xFract="0.31884423"
                           y3="7.34209"
                           yFract="0.81849427"
                           z3="5.98322"
                           zFract="0.24815593"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.82216"
                           xFract="0.14549852"
                           y3="5.77394"
                           yFract="0.64367732"
                           z3="7.85232"
                           zFract="0.34667615"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.09026"
                           xFract="0.14510683"
                           y3="7.98841"
                           yFract="0.89054585"
                           z3="8.00776"
                           zFract="0.34664756"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="7.40326"
                           xFract="0.3952398"
                           y3="5.76961"
                           yFract="0.64319461"
                           z3="8.01616"
                           zFract="0.34696058"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.69559"
                           xFract="0.39736632"
                           y3="7.98091"
                           yFract="0.88970975"
                           z3="8.15153"
                           zFract="0.34592107"/>
                     <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="6.21976"
                           xFract="0.56696972"
                           y3="0.61696"
                           yFract="0.06877854"
                           z3="5.68886"
                           zFract="0.24924984"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="7.53386"
                           xFract="0.56976626"
                           y3="2.85409"
                           yFract="0.3181732"
                           z3="5.81126"
                           zFract="0.24749284"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="8.80216"
                           xFract="0.81674836"
                           y3="0.61422"
                           yFract="0.06847308"
                           z3="5.83862"
                           zFract="0.24886399"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.11496"
                           xFract="0.81989181"
                           y3="2.84284"
                           yFract="0.31691906"
                           z3="5.98682"
                           zFract="0.24834142"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.42741"
                           xFract="0.64716661"
                           y3="1.27497"
                           yFract="0.14213332"
                           z3="7.90058"
                           zFract="0.34894789"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="8.72008"
                           xFract="0.64659554"
                           y3="3.53544"
                           yFract="0.39412992"
                           z3="8.00752"
                           zFract="0.34648482"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="9.97811"
                           xFract="0.89379158"
                           y3="1.27384"
                           yFract="0.14200735"
                           z3="7.9995"
                           zFract="0.34625374"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.24892"
                           xFract="0.89076146"
                           y3="3.54054"
                           yFract="0.39469847"
                           z3="8.1485"
                           zFract="0.34582645"/>
                     <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="8.81413"
                           xFract="0.5690322"
                           y3="5.09591"
                           yFract="0.56809071"
                           z3="5.9930"
                           zFract="0.24862349"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="10.10421"
                           xFract="0.56936303"
                           y3="7.33563"
                           yFract="0.81777411"
                           z3="6.1448"
                           zFract="0.24831767"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="11.40389"
                           xFract="0.81936014"
                           y3="5.09609"
                           yFract="0.56811078"
                           z3="6.14937"
                           zFract="0.24852318"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.69468"
                           xFract="0.81948251"
                           y3="7.3408"
                           yFract="0.81835046"
                           z3="6.29814"
                           zFract="0.24806412"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.98377"
                           xFract="0.64479354"
                           y3="5.76763"
                           yFract="0.64297388"
                           z3="8.18662"
                           zFract="0.34755491"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="11.2777"
                           xFract="0.64674599"
                           y3="7.98485"
                           yFract="0.89014898"
                           z3="8.32005"
                           zFract="0.34640943"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="12.56294"
                           xFract="0.89310769"
                           y3="5.78564"
                           yFract="0.64498163"
                           z3="8.33114"
                           zFract="0.34689667"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.85827"
                           xFract="0.89516548"
                           y3="8.0034"
                           yFract="0.89221693"
                           z3="8.48568"
                           zFract="0.34674157"/>
                     <atom elementType="Cl"
                           id="a65"
                           x3="3.14259"
                           xFract="0.19074674"
                           y3="2.03544"
                           yFract="0.22691032"
                           z3="9.58677"
                           zFract="0.43954489"/>
                     <atom elementType="H"
                           id="a66"
                           x3="6.18263"
                           xFract="0.4846752"
                           y3="2.03428"
                           yFract="0.226781"
                           z3="8.77938"
                           zFract="0.39270665"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a4" 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 a8" order="S"/>
                     <bond atomRefs2="a4 a19" 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 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a27" 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 a42" 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 a27" order="S"/>
                     <bond atomRefs2="a8 a42" 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 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a25" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a41" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a42" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a27" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a65" order="S"/>
                     <bond atomRefs2="a14 a29" order="S"/>
                     <bond atomRefs2="a14 a25" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a66" order="S"/>
                     <bond atomRefs2="a15 a45" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a16 a66" order="S"/>
                     <bond atomRefs2="a16 a42" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a31" order="S"/>
                     <bond atomRefs2="a16 a27" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a46" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a19" 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 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a27" 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 a58" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a42" order="S"/>
                     <bond atomRefs2="a27 a57" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a58" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a61" order="S"/>
                     <bond atomRefs2="a31 a46" order="S"/>
                     <bond atomRefs2="a31 a57" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a62" order="S"/>
                     <bond atomRefs2="a32 a58" 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 a43" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a42" 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 a59" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a59" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a57" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a44 a59" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a45 a66" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a46 a61" order="S"/>
                     <bond atomRefs2="a46 a57" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a48 a59" order="S"/>
                     <bond atomRefs2="a48 a63" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                  </bondArray>
                  <formula concise="HClCu64">
                     <atomArray count="1 1 64" elementType="H Cl Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4102.396999999995</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="1.08884"
                           xFract="0.07114611"
                           y3="0.61418"
                           yFract="0.06846863"
                           z3="5.37829"
                           zFract="0.24941656"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="2.36186"
                           xFract="0.07033873"
                           y3="2.8447"
                           yFract="0.31712641"
                           z3="5.53435"
                           zFract="0.2493762"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="3.67085"
                           xFract="0.31975478"
                           y3="0.63183"
                           yFract="0.07043624"
                           z3="5.56445"
                           zFract="0.25071403"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.92866"
                           xFract="0.31809075"
                           y3="2.8513"
                           yFract="0.31786218"
                           z3="5.69494"
                           zFract="0.2495304"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.18771"
                           xFract="0.14256041"
                           y3="1.24099"
                           yFract="0.13834524"
                           z3="7.58564"
                           zFract="0.34927457"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="3.50527"
                           xFract="0.14033599"
                           y3="3.57456"
                           yFract="0.39849101"
                           z3="7.75508"
                           zFract="0.34956444"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="4.86649"
                           xFract="0.40000353"
                           y3="1.2680"
                           yFract="0.14135631"
                           z3="7.82631"
                           zFract="0.3528473"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.14874"
                           xFract="0.39824918"
                           y3="3.53164"
                           yFract="0.3937063"
                           z3="7.88648"
                           zFract="0.34820381"/>
                     <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="3.64098"
                           xFract="0.07019764"
                           y3="5.07384"
                           yFract="0.56563035"
                           z3="5.70074"
                           zFract="0.24980759"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.93031"
                           xFract="0.06904271"
                           y3="7.33901"
                           yFract="0.81815091"
                           z3="5.81547"
                           zFract="0.2477136"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.22928"
                           xFract="0.32031949"
                           y3="5.07519"
                           yFract="0.56578085"
                           z3="5.85094"
                           zFract="0.24941864"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.51727"
                           xFract="0.31895284"
                           y3="7.34184"
                           yFract="0.8184664"
                           z3="5.98421"
                           zFract="0.2482002"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.82252"
                           xFract="0.14551444"
                           y3="5.77428"
                           yFract="0.64371522"
                           z3="7.85165"
                           zFract="0.34664296"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.09043"
                           xFract="0.14511049"
                           y3="7.98864"
                           yFract="0.89057149"
                           z3="8.00732"
                           zFract="0.34662594"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="7.40457"
                           xFract="0.39530534"
                           y3="5.77071"
                           yFract="0.64331724"
                           z3="8.01553"
                           zFract="0.34692526"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.69596"
                           xFract="0.39743874"
                           y3="7.98025"
                           yFract="0.88963617"
                           z3="8.15196"
                           zFract="0.34594138"/>
                     <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="6.21925"
                           xFract="0.56693819"
                           y3="0.61664"
                           yFract="0.06874287"
                           z3="5.68986"
                           zFract="0.24929899"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="7.53414"
                           xFract="0.56978999"
                           y3="2.85415"
                           yFract="0.31817989"
                           z3="5.81243"
                           zFract="0.2475471"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="8.80057"
                           xFract="0.81654857"
                           y3="0.61505"
                           yFract="0.06856561"
                           z3="5.83694"
                           zFract="0.24878798"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.1143"
                           xFract="0.81989742"
                           y3="2.84159"
                           yFract="0.31677971"
                           z3="5.98673"
                           zFract="0.24834116"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.42393"
                           xFract="0.64673693"
                           y3="1.27665"
                           yFract="0.14232061"
                           z3="7.90282"
                           zFract="0.34906074"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="8.72064"
                           xFract="0.64667299"
                           y3="3.53502"
                           yFract="0.3940831"
                           z3="8.00709"
                           zFract="0.34646363"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="9.97851"
                           xFract="0.8938508"
                           y3="1.27347"
                           yFract="0.1419661"
                           z3="8.00018"
                           zFract="0.34628526"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.24763"
                           xFract="0.89072395"
                           y3="3.53897"
                           yFract="0.39452345"
                           z3="8.14801"
                           zFract="0.34580969"/>
                     <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="8.81607"
                           xFract="0.56921251"
                           y3="5.09604"
                           yFract="0.5681052"
                           z3="5.99212"
                           zFract="0.24857618"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="10.10467"
                           xFract="0.5694858"
                           y3="7.33422"
                           yFract="0.81761692"
                           z3="6.14477"
                           zFract="0.24831729"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="11.40622"
                           xFract="0.81971976"
                           y3="5.09367"
                           yFract="0.56784099"
                           z3="6.14976"
                           zFract="0.24853889"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.69434"
                           xFract="0.81945131"
                           y3="7.34077"
                           yFract="0.81834711"
                           z3="6.2985"
                           zFract="0.24808213"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.98504"
                           xFract="0.64494907"
                           y3="5.76704"
                           yFract="0.64290811"
                           z3="8.18674"
                           zFract="0.34755789"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="11.27734"
                           xFract="0.64662733"
                           y3="7.98636"
                           yFract="0.89031732"
                           z3="8.32068"
                           zFract="0.34643765"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="12.56248"
                           xFract="0.89299603"
                           y3="5.78685"
                           yFract="0.64511652"
                           z3="8.33093"
                           zFract="0.34688607"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.85669"
                           xFract="0.89504551"
                           y3="8.00281"
                           yFract="0.89215116"
                           z3="8.48708"
                           zFract="0.34681313"/>
                     <atom elementType="Cl"
                           id="a65"
                           x3="3.13332"
                           xFract="0.18953136"
                           y3="2.04119"
                           yFract="0.22755133"
                           z3="9.58585"
                           zFract="0.43951866"/>
                     <atom elementType="H"
                           id="a66"
                           x3="6.1787"
                           xFract="0.4842942"
                           y3="2.0343"
                           yFract="0.22678323"
                           z3="8.78081"
                           zFract="0.39278538"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a4" 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 a8" order="S"/>
                     <bond atomRefs2="a4 a19" 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 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a27" 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 a42" 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 a27" order="S"/>
                     <bond atomRefs2="a8 a42" 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 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a25" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a41" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a42" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a27" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a65" order="S"/>
                     <bond atomRefs2="a14 a29" order="S"/>
                     <bond atomRefs2="a14 a25" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a66" order="S"/>
                     <bond atomRefs2="a15 a45" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a16 a66" order="S"/>
                     <bond atomRefs2="a16 a42" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a31" order="S"/>
                     <bond atomRefs2="a16 a27" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a46" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a19" 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 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a27" 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 a58" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a42" order="S"/>
                     <bond atomRefs2="a27 a57" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a58" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a61" order="S"/>
                     <bond atomRefs2="a31 a46" order="S"/>
                     <bond atomRefs2="a31 a57" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a62" order="S"/>
                     <bond atomRefs2="a32 a58" 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 a43" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a42" 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 a59" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a59" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a57" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a44 a59" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a45 a66" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a46 a61" order="S"/>
                     <bond atomRefs2="a46 a57" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a48 a59" order="S"/>
                     <bond atomRefs2="a48 a63" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                  </bondArray>
                  <formula concise="HClCu64">
                     <atomArray count="1 1 64" elementType="H Cl Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4102.396999999995</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="1.08954"
                           xFract="0.07119489"
                           y3="0.61452"
                           yFract="0.06850653"
                           z3="5.37802"
                           zFract="0.24940124"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="2.36126"
                           xFract="0.07023076"
                           y3="2.8456"
                           yFract="0.31722674"
                           z3="5.53471"
                           zFract="0.2493934"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="3.67084"
                           xFract="0.31977658"
                           y3="0.63142"
                           yFract="0.07039054"
                           z3="5.56419"
                           zFract="0.25070249"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.92922"
                           xFract="0.31817598"
                           y3="2.85074"
                           yFract="0.31779975"
                           z3="5.69438"
                           zFract="0.24950331"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.18848"
                           xFract="0.14259874"
                           y3="1.24164"
                           yFract="0.1384177"
                           z3="7.5858"
                           zFract="0.3492788"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="3.5052"
                           xFract="0.14035143"
                           y3="3.57416"
                           yFract="0.39844642"
                           z3="7.75569"
                           zFract="0.34959407"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="4.86715"
                           xFract="0.40012064"
                           y3="1.26704"
                           yFract="0.14124929"
                           z3="7.82735"
                           zFract="0.35289603"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.14977"
                           xFract="0.39827766"
                           y3="3.53292"
                           yFract="0.39384899"
                           z3="7.88631"
                           zFract="0.34819069"/>
                     <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="3.64042"
                           xFract="0.07014018"
                           y3="5.0739"
                           yFract="0.56563704"
                           z3="5.70124"
                           zFract="0.24983268"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.93081"
                           xFract="0.06913769"
                           y3="7.33817"
                           yFract="0.81805726"
                           z3="5.81579"
                           zFract="0.24772865"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.2292"
                           xFract="0.3203062"
                           y3="5.07529"
                           yFract="0.565792"
                           z3="5.85044"
                           zFract="0.24939512"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.51659"
                           xFract="0.31887767"
                           y3="7.34201"
                           yFract="0.81848535"
                           z3="5.98352"
                           zFract="0.24816934"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.82227"
                           xFract="0.1455036"
                           y3="5.77404"
                           yFract="0.64368846"
                           z3="7.85211"
                           zFract="0.34666577"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.09032"
                           xFract="0.14510875"
                           y3="7.98848"
                           yFract="0.89055365"
                           z3="8.00763"
                           zFract="0.34664114"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="7.40366"
                           xFract="0.39525958"
                           y3="5.76995"
                           yFract="0.64323251"
                           z3="8.01596"
                           zFract="0.34694943"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.6957"
                           xFract="0.39738862"
                           y3="7.9807"
                           yFract="0.88968634"
                           z3="8.15166"
                           zFract="0.34592723"/>
                     <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="6.2196"
                           xFract="0.5669598"
                           y3="0.61686"
                           yFract="0.06876739"
                           z3="5.68917"
                           zFract="0.24926508"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="7.53395"
                           xFract="0.56977385"
                           y3="2.85411"
                           yFract="0.31817543"
                           z3="5.81162"
                           zFract="0.24750952"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="8.80167"
                           xFract="0.81668656"
                           y3="0.61448"
                           yFract="0.06850207"
                           z3="5.8381"
                           zFract="0.24884045"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.11476"
                           xFract="0.81989358"
                           y3="2.84246"
                           yFract="0.31687669"
                           z3="5.9868"
                           zFract="0.24834169"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.42633"
                           xFract="0.64703334"
                           y3="1.27549"
                           yFract="0.14219129"
                           z3="7.90127"
                           zFract="0.34898267"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="8.72025"
                           xFract="0.64661919"
                           y3="3.53531"
                           yFract="0.39411543"
                           z3="8.00739"
                           zFract="0.34647842"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="9.97823"
                           xFract="0.89380929"
                           y3="1.27373"
                           yFract="0.14199509"
                           z3="7.99971"
                           zFract="0.34626348"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.24852"
                           xFract="0.89074945"
                           y3="3.54006"
                           yFract="0.39464496"
                           z3="8.14835"
                           zFract="0.34582134"/>
                     <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="8.81473"
                           xFract="0.56908798"
                           y3="5.09595"
                           yFract="0.56809517"
                           z3="5.99273"
                           zFract="0.24860896"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="10.10435"
                           xFract="0.569401"
                           y3="7.33519"
                           yFract="0.81772506"
                           z3="6.14479"
                           zFract="0.24831753"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="11.40461"
                           xFract="0.81947139"
                           y3="5.09534"
                           yFract="0.56802717"
                           z3="6.14949"
                           zFract="0.24852802"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.69458"
                           xFract="0.8194734"
                           y3="7.34079"
                           yFract="0.81834934"
                           z3="6.29825"
                           zFract="0.24806962"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.98416"
                           xFract="0.64484179"
                           y3="5.76744"
                           yFract="0.6429527"
                           z3="8.18666"
                           zFract="0.34755599"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="11.27759"
                           xFract="0.64670925"
                           y3="7.98532"
                           yFract="0.89020138"
                           z3="8.32025"
                           zFract="0.34641839"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="12.5628"
                           xFract="0.89307305"
                           y3="5.78602"
                           yFract="0.64502399"
                           z3="8.33108"
                           zFract="0.34689361"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.85778"
                           xFract="0.89512811"
                           y3="8.00322"
                           yFract="0.89219686"
                           z3="8.48611"
                           zFract="0.34676356"/>
                     <atom elementType="Cl"
                           id="a65"
                           x3="3.13973"
                           xFract="0.19037199"
                           y3="2.03721"
                           yFract="0.22710764"
                           z3="9.58648"
                           zFract="0.43953651"/>
                     <atom elementType="H"
                           id="a66"
                           x3="6.18142"
                           xFract="0.48455824"
                           y3="2.03428"
                           yFract="0.226781"
                           z3="8.77982"
                           zFract="0.39273088"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a4" 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 a8" order="S"/>
                     <bond atomRefs2="a4 a19" 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 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a27" 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 a42" 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 a27" order="S"/>
                     <bond atomRefs2="a8 a42" 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 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a25" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a41" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a42" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a27" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a65" order="S"/>
                     <bond atomRefs2="a14 a29" order="S"/>
                     <bond atomRefs2="a14 a25" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a66" order="S"/>
                     <bond atomRefs2="a15 a45" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a16 a66" order="S"/>
                     <bond atomRefs2="a16 a42" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a31" order="S"/>
                     <bond atomRefs2="a16 a27" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a46" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a19" 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 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a27" 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 a58" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a42" order="S"/>
                     <bond atomRefs2="a27 a57" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a58" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a61" order="S"/>
                     <bond atomRefs2="a31 a46" order="S"/>
                     <bond atomRefs2="a31 a57" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a62" order="S"/>
                     <bond atomRefs2="a32 a58" 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 a43" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a42" 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 a59" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a59" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a57" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a44 a59" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a45 a66" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a46 a61" order="S"/>
                     <bond atomRefs2="a46 a57" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a48 a59" order="S"/>
                     <bond atomRefs2="a48 a63" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                  </bondArray>
                  <formula concise="HClCu64">
                     <atomArray count="1 1 64" elementType="H Cl Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4102.396999999995</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="1.0892"
                           xFract="0.07115759"
                           y3="0.6146"
                           yFract="0.06851545"
                           z3="5.37827"
                           zFract="0.24941388"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="2.36097"
                           xFract="0.07026492"
                           y3="2.84448"
                           yFract="0.31710188"
                           z3="5.53441"
                           zFract="0.24938196"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="3.67018"
                           xFract="0.31972944"
                           y3="0.63112"
                           yFract="0.07035709"
                           z3="5.5640"
                           zFract="0.25069593"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.92886"
                           xFract="0.31811286"
                           y3="2.85125"
                           yFract="0.3178566"
                           z3="5.6952"
                           zFract="0.24954216"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.18773"
                           xFract="0.14256512"
                           y3="1.24094"
                           yFract="0.13833967"
                           z3="7.58565"
                           zFract="0.34927506"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="3.50523"
                           xFract="0.14028881"
                           y3="3.57534"
                           yFract="0.39857796"
                           z3="7.75447"
                           zFract="0.34953449"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="4.86489"
                           xFract="0.39991606"
                           y3="1.26679"
                           yFract="0.14122142"
                           z3="7.82598"
                           zFract="0.35283837"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.14882"
                           xFract="0.39815084"
                           y3="3.53355"
                           yFract="0.39391923"
                           z3="7.88755"
                           zFract="0.34825084"/>
                     <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="3.64062"
                           xFract="0.07012675"
                           y3="5.07449"
                           yFract="0.56570281"
                           z3="5.70087"
                           zFract="0.24981368"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.93021"
                           xFract="0.06903971"
                           y3="7.33889"
                           yFract="0.81813753"
                           z3="5.81589"
                           zFract="0.2477339"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.22963"
                           xFract="0.32032444"
                           y3="5.07571"
                           yFract="0.56583882"
                           z3="5.85054"
                           zFract="0.2493979"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.51693"
                           xFract="0.31891942"
                           y3="7.34185"
                           yFract="0.81846751"
                           z3="5.98367"
                           zFract="0.2481757"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.82219"
                           xFract="0.14548865"
                           y3="5.77417"
                           yFract="0.64370296"
                           z3="7.85188"
                           zFract="0.34665494"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.08994"
                           xFract="0.14506257"
                           y3="7.98865"
                           yFract="0.8905726"
                           z3="8.00733"
                           zFract="0.34662781"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="7.40459"
                           xFract="0.39534282"
                           y3="5.77007"
                           yFract="0.64324589"
                           z3="8.01566"
                           zFract="0.3469324"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.6958"
                           xFract="0.39745381"
                           y3="7.9797"
                           yFract="0.88957486"
                           z3="8.15209"
                           zFract="0.34594889"/>
                     <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="6.21918"
                           xFract="0.5669131"
                           y3="0.61697"
                           yFract="0.06877965"
                           z3="5.68944"
                           zFract="0.24927884"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="7.53354"
                           xFract="0.56973255"
                           y3="2.85414"
                           yFract="0.31817878"
                           z3="5.81229"
                           zFract="0.24754224"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="8.80091"
                           xFract="0.81660754"
                           y3="0.61458"
                           yFract="0.06851322"
                           z3="5.83894"
                           zFract="0.24888208"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.11438"
                           xFract="0.81989405"
                           y3="2.84179"
                           yFract="0.316802"
                           z3="5.98637"
                           zFract="0.24832363"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.42566"
                           xFract="0.64695635"
                           y3="1.27571"
                           yFract="0.14221582"
                           z3="7.90289"
                           zFract="0.34906062"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="8.72024"
                           xFract="0.64661322"
                           y3="3.5354"
                           yFract="0.39412546"
                           z3="8.00688"
                           zFract="0.34645425"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="9.97716"
                           xFract="0.89375806"
                           y3="1.27279"
                           yFract="0.1418903"
                           z3="7.99981"
                           zFract="0.34627285"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.2483"
                           xFract="0.8907504"
                           y3="3.53966"
                           yFract="0.39460037"
                           z3="8.14825"
                           zFract="0.34581792"/>
                     <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="8.81593"
                           xFract="0.56919398"
                           y3="5.09613"
                           yFract="0.56811523"
                           z3="5.99209"
                           zFract="0.24857502"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="10.10457"
                           xFract="0.56945558"
                           y3="7.33459"
                           yFract="0.81765817"
                           z3="6.14486"
                           zFract="0.2483212"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="11.40653"
                           xFract="0.81977693"
                           y3="5.09318"
                           yFract="0.56778637"
                           z3="6.15001"
                           zFract="0.2485506"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.6944"
                           xFract="0.81945655"
                           y3="7.34078"
                           yFract="0.81834823"
                           z3="6.29829"
                           zFract="0.24807204"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.9848"
                           xFract="0.64491699"
                           y3="5.7672"
                           yFract="0.64292594"
                           z3="8.18671"
                           zFract="0.3475569"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="11.27708"
                           xFract="0.64664163"
                           y3="7.98565"
                           yFract="0.89023817"
                           z3="8.32047"
                           zFract="0.34642969"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="12.56232"
                           xFract="0.89300333"
                           y3="5.78644"
                           yFract="0.64507081"
                           z3="8.33094"
                           zFract="0.34688769"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.85718"
                           xFract="0.89503512"
                           y3="8.00385"
                           yFract="0.8922671"
                           z3="8.48653"
                           zFract="0.34678404"/>
                     <atom elementType="Cl"
                           id="a65"
                           x3="3.13157"
                           xFract="0.1891795"
                           y3="2.04448"
                           yFract="0.22791809"
                           z3="9.58647"
                           zFract="0.43954744"/>
                     <atom elementType="H"
                           id="a66"
                           x3="6.17773"
                           xFract="0.48425042"
                           y3="2.0334"
                           yFract="0.2266829"
                           z3="8.78124"
                           zFract="0.39280995"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a4" 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 a8" order="S"/>
                     <bond atomRefs2="a4 a19" 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 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a27" 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 a42" 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 a27" order="S"/>
                     <bond atomRefs2="a8 a42" 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 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a25" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a41" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a42" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a27" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a65" order="S"/>
                     <bond atomRefs2="a14 a29" order="S"/>
                     <bond atomRefs2="a14 a25" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a66" order="S"/>
                     <bond atomRefs2="a15 a45" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a16 a66" order="S"/>
                     <bond atomRefs2="a16 a42" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a31" order="S"/>
                     <bond atomRefs2="a16 a27" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a46" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a19" 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 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a27" 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 a58" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a42" order="S"/>
                     <bond atomRefs2="a27 a57" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a58" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a61" order="S"/>
                     <bond atomRefs2="a31 a46" order="S"/>
                     <bond atomRefs2="a31 a57" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a62" order="S"/>
                     <bond atomRefs2="a32 a58" 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 a43" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a42" 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 a59" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a59" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a57" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a44 a59" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a45 a66" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a46 a61" order="S"/>
                     <bond atomRefs2="a46 a57" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a48 a59" order="S"/>
                     <bond atomRefs2="a48 a63" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                  </bondArray>
                  <formula concise="HClCu64">
                     <atomArray count="1 1 64" elementType="H Cl Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4102.396999999995</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="1.08896"
                           xFract="0.07113105"
                           y3="0.61466"
                           yFract="0.06852214"
                           z3="5.37845"
                           zFract="0.24942296"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="2.36077"
                           xFract="0.0702889"
                           y3="2.8437"
                           yFract="0.31701493"
                           z3="5.5342"
                           zFract="0.24937394"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="3.66972"
                           xFract="0.31969608"
                           y3="0.63092"
                           yFract="0.0703348"
                           z3="5.56387"
                           zFract="0.25069146"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.92861"
                           xFract="0.31806926"
                           y3="2.8516"
                           yFract="0.31789562"
                           z3="5.69576"
                           zFract="0.2495687"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.1872"
                           xFract="0.1425411"
                           y3="1.24045"
                           yFract="0.13828504"
                           z3="7.58555"
                           zFract="0.3492727"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="3.50525"
                           xFract="0.14024576"
                           y3="3.57615"
                           yFract="0.39866826"
                           z3="7.75363"
                           zFract="0.34949347"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="4.86333"
                           xFract="0.39977526"
                           y3="1.26661"
                           yFract="0.14120135"
                           z3="7.82504"
                           zFract="0.35279886"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.14815"
                           xFract="0.39806164"
                           y3="3.53399"
                           yFract="0.39396828"
                           z3="7.8884"
                           zFract="0.34829212"/>
                     <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="3.64076"
                           xFract="0.07011752"
                           y3="5.0749"
                           yFract="0.56574852"
                           z3="5.70062"
                           zFract="0.2498008"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.92979"
                           xFract="0.06897135"
                           y3="7.33939"
                           yFract="0.81819327"
                           z3="5.81595"
                           zFract="0.2477371"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.22993"
                           xFract="0.32033734"
                           y3="5.0760"
                           yFract="0.56587115"
                           z3="5.85061"
                           zFract="0.24939985"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.51716"
                           xFract="0.31894831"
                           y3="7.34173"
                           yFract="0.81845413"
                           z3="5.98377"
                           zFract="0.24817995"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.82213"
                           xFract="0.14547841"
                           y3="5.77425"
                           yFract="0.64371187"
                           z3="7.85172"
                           zFract="0.34664743"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.08969"
                           xFract="0.1450323"
                           y3="7.98876"
                           yFract="0.89058487"
                           z3="8.00713"
                           zFract="0.34661892"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="7.40524"
                           xFract="0.39540065"
                           y3="5.77016"
                           yFract="0.64325592"
                           z3="8.01545"
                           zFract="0.34692047"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.69587"
                           xFract="0.3974989"
                           y3="7.97901"
                           yFract="0.88949794"
                           z3="8.15238"
                           zFract="0.34596351"/>
                     <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="6.21889"
                           xFract="0.56688062"
                           y3="0.61705"
                           yFract="0.06878857"
                           z3="5.68962"
                           zFract="0.24928803"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="7.53326"
                           xFract="0.56970382"
                           y3="2.85417"
                           yFract="0.31818212"
                           z3="5.81275"
                           zFract="0.24756469"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="8.80039"
                           xFract="0.81655394"
                           y3="0.61464"
                           yFract="0.06851991"
                           z3="5.83951"
                           zFract="0.24891036"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.11413"
                           xFract="0.81989598"
                           y3="2.84132"
                           yFract="0.31674961"
                           z3="5.98608"
                           zFract="0.24831146"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.4252"
                           xFract="0.646903"
                           y3="1.27587"
                           yFract="0.14223365"
                           z3="7.9040"
                           zFract="0.34911402"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="8.72023"
                           xFract="0.64660892"
                           y3="3.53546"
                           yFract="0.39413215"
                           z3="8.00653"
                           zFract="0.34643767"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="9.97642"
                           xFract="0.89372262"
                           y3="1.27214"
                           yFract="0.14181783"
                           z3="7.99987"
                           zFract="0.3462789"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.24815"
                           xFract="0.89075089"
                           y3="3.53939"
                           yFract="0.39457027"
                           z3="8.14818"
                           zFract="0.34581551"/>
                     <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="8.81676"
                           xFract="0.56926699"
                           y3="5.09626"
                           yFract="0.56812973"
                           z3="5.99165"
                           zFract="0.24855166"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="10.10473"
                           xFract="0.56949437"
                           y3="7.33417"
                           yFract="0.81761135"
                           z3="6.1449"
                           zFract="0.24832333"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="11.40786"
                           xFract="0.81998824"
                           y3="5.09169"
                           yFract="0.56762026"
                           z3="6.15037"
                           zFract="0.24856623"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.69428"
                           xFract="0.81944551"
                           y3="7.34077"
                           yFract="0.81834711"
                           z3="6.29831"
                           zFract="0.24807334"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.98524"
                           xFract="0.64496896"
                           y3="5.76703"
                           yFract="0.64290699"
                           z3="8.18675"
                           zFract="0.3475578"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="11.27672"
                           xFract="0.64659406"
                           y3="7.98588"
                           yFract="0.89026381"
                           z3="8.32062"
                           zFract="0.34643741"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="12.56199"
                           xFract="0.89295533"
                           y3="5.78673"
                           yFract="0.64510314"
                           z3="8.33084"
                           zFract="0.34688344"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.85677"
                           xFract="0.89497106"
                           y3="8.00429"
                           yFract="0.89231615"
                           z3="8.48681"
                           zFract="0.34679769"/>
                     <atom elementType="Cl"
                           id="a65"
                           x3="3.12595"
                           xFract="0.18835803"
                           y3="2.04949"
                           yFract="0.22847661"
                           z3="9.58646"
                           zFract="0.43955482"/>
                     <atom elementType="H"
                           id="a66"
                           x3="6.17519"
                           xFract="0.48403876"
                           y3="2.03279"
                           yFract="0.2266149"
                           z3="8.78222"
                           zFract="0.39286451"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a4" 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 a8" order="S"/>
                     <bond atomRefs2="a4 a19" 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 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a27" 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 a42" 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 a27" order="S"/>
                     <bond atomRefs2="a8 a42" 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 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a25" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a41" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a42" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a27" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a65" order="S"/>
                     <bond atomRefs2="a14 a29" order="S"/>
                     <bond atomRefs2="a14 a25" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a66" order="S"/>
                     <bond atomRefs2="a15 a45" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a16 a66" order="S"/>
                     <bond atomRefs2="a16 a42" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a31" order="S"/>
                     <bond atomRefs2="a16 a27" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a46" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a19" 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 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a27" 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 a58" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a42" order="S"/>
                     <bond atomRefs2="a27 a57" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a58" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a61" order="S"/>
                     <bond atomRefs2="a31 a46" order="S"/>
                     <bond atomRefs2="a31 a57" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a62" order="S"/>
                     <bond atomRefs2="a32 a58" 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 a43" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a42" 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 a59" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a59" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a57" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a44 a59" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a45 a66" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a46 a61" order="S"/>
                     <bond atomRefs2="a46 a57" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a48 a59" order="S"/>
                     <bond atomRefs2="a48 a63" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                  </bondArray>
                  <formula concise="HClCu64">
                     <atomArray count="1 1 64" elementType="H Cl Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4102.396999999995</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="1.08849"
                           xFract="0.07107951"
                           y3="0.61477"
                           yFract="0.0685344"
                           z3="5.3788"
                           zFract="0.24944063"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="2.36037"
                           xFract="0.07033575"
                           y3="2.84216"
                           yFract="0.31684325"
                           z3="5.53379"
                           zFract="0.24935834"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="3.6688"
                           xFract="0.31963047"
                           y3="0.6305"
                           yFract="0.07028797"
                           z3="5.56362"
                           zFract="0.25068303"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.92811"
                           xFract="0.31798261"
                           y3="2.85229"
                           yFract="0.31797254"
                           z3="5.69689"
                           zFract="0.24962227"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.18616"
                           xFract="0.14249498"
                           y3="1.23947"
                           yFract="0.13817579"
                           z3="7.58534"
                           zFract="0.34926743"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="3.50529"
                           xFract="0.14015911"
                           y3="3.57778"
                           yFract="0.39884998"
                           z3="7.75194"
                           zFract="0.34941095"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="4.86021"
                           xFract="0.3994931"
                           y3="1.26626"
                           yFract="0.14116233"
                           z3="7.82316"
                           zFract="0.3527198"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.14683"
                           xFract="0.39788574"
                           y3="3.53486"
                           yFract="0.39406526"
                           z3="7.89011"
                           zFract="0.3483751"/>
                     <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="3.64104"
                           xFract="0.07009905"
                           y3="5.07572"
                           yFract="0.56583993"
                           z3="5.70013"
                           zFract="0.24977552"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.92896"
                           xFract="0.06883614"
                           y3="7.34038"
                           yFract="0.81830364"
                           z3="5.81608"
                           zFract="0.24774397"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.23052"
                           xFract="0.32036216"
                           y3="5.07658"
                           yFract="0.56593581"
                           z3="5.85074"
                           zFract="0.24940331"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.51763"
                           xFract="0.31900652"
                           y3="7.3415"
                           yFract="0.81842849"
                           z3="5.98398"
                           zFract="0.24818888"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.8220"
                           xFract="0.14545585"
                           y3="5.77443"
                           yFract="0.64373194"
                           z3="7.85139"
                           zFract="0.34663195"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.08917"
                           xFract="0.14496871"
                           y3="7.9890"
                           yFract="0.89061162"
                           z3="8.00673"
                           zFract="0.34660116"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="7.40653"
                           xFract="0.39551591"
                           y3="5.77033"
                           yFract="0.64327487"
                           z3="8.01502"
                           zFract="0.34689619"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.6960"
                           xFract="0.3975881"
                           y3="7.97763"
                           yFract="0.8893441"
                           z3="8.15297"
                           zFract="0.34599326"/>
                     <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="6.2183"
                           xFract="0.56681526"
                           y3="0.6172"
                           yFract="0.06880529"
                           z3="5.6900"
                           zFract="0.2493074"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="7.53271"
                           xFract="0.56964843"
                           y3="2.85421"
                           yFract="0.31818658"
                           z3="5.81368"
                           zFract="0.24761006"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="8.79934"
                           xFract="0.81644467"
                           y3="0.61478"
                           yFract="0.06853551"
                           z3="5.84066"
                           zFract="0.24896738"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.11361"
                           xFract="0.81989736"
                           y3="2.84039"
                           yFract="0.31664593"
                           z3="5.9855"
                           zFract="0.24828717"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.42427"
                           xFract="0.64679589"
                           y3="1.27618"
                           yFract="0.14226821"
                           z3="7.90622"
                           zFract="0.34922085"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="8.72022"
                           xFract="0.64660074"
                           y3="3.53559"
                           yFract="0.39414664"
                           z3="8.00584"
                           zFract="0.34640495"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="9.97493"
                           xFract="0.89365078"
                           y3="1.27084"
                           yFract="0.14167291"
                           z3="8.00001"
                           zFract="0.34629197"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.24785"
                           xFract="0.89075188"
                           y3="3.53885"
                           yFract="0.39451007"
                           z3="8.14804"
                           zFract="0.34581067"/>
                     <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="8.81842"
                           xFract="0.56941301"
                           y3="5.09652"
                           yFract="0.56815871"
                           z3="5.99078"
                           zFract="0.24850542"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="10.10504"
                           xFract="0.56957099"
                           y3="7.33333"
                           yFract="0.8175177"
                           z3="6.1450"
                           zFract="0.24832855"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="11.41051"
                           xFract="0.82040988"
                           y3="5.08871"
                           yFract="0.56728805"
                           z3="6.1511"
                           zFract="0.24859798"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.69404"
                           xFract="0.81942397"
                           y3="7.34074"
                           yFract="0.81834377"
                           z3="6.29837"
                           zFract="0.24807692"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.98612"
                           xFract="0.64507235"
                           y3="5.7667"
                           yFract="0.6428702"
                           z3="8.18683"
                           zFract="0.34755959"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="11.27602"
                           xFract="0.6465014"
                           y3="7.98633"
                           yFract="0.89031397"
                           z3="8.32093"
                           zFract="0.3464533"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="12.56132"
                           xFract="0.89285836"
                           y3="5.78731"
                           yFract="0.6451678"
                           z3="8.33065"
                           zFract="0.34687545"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.85595"
                           xFract="0.89484348"
                           y3="8.00516"
                           yFract="0.89241313"
                           z3="8.48738"
                           zFract="0.34682548"/>
                     <atom elementType="Cl"
                           id="a65"
                           x3="3.1147"
                           xFract="0.18671358"
                           y3="2.05952"
                           yFract="0.22959475"
                           z3="9.58644"
                           zFract="0.43956959"/>
                     <atom elementType="H"
                           id="a66"
                           x3="6.1701"
                           xFract="0.48361449"
                           y3="2.03157"
                           yFract="0.22647889"
                           z3="8.78419"
                           zFract="0.39297412"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a4" 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 a8" order="S"/>
                     <bond atomRefs2="a4 a19" 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 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a27" 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 a42" 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 a27" order="S"/>
                     <bond atomRefs2="a8 a42" 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 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a25" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a41" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a42" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a27" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a65" order="S"/>
                     <bond atomRefs2="a14 a29" order="S"/>
                     <bond atomRefs2="a14 a25" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a66" order="S"/>
                     <bond atomRefs2="a15 a45" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a16 a66" order="S"/>
                     <bond atomRefs2="a16 a42" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a31" order="S"/>
                     <bond atomRefs2="a16 a27" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a46" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a19" 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 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a27" 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 a58" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a42" order="S"/>
                     <bond atomRefs2="a27 a57" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a58" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a61" order="S"/>
                     <bond atomRefs2="a31 a46" order="S"/>
                     <bond atomRefs2="a31 a57" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a62" order="S"/>
                     <bond atomRefs2="a32 a58" 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 a43" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a42" 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 a59" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a59" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a57" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a44 a59" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a45 a66" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a46 a61" order="S"/>
                     <bond atomRefs2="a46 a57" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a48 a59" order="S"/>
                     <bond atomRefs2="a48 a63" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                  </bondArray>
                  <formula concise="HClCu64">
                     <atomArray count="1 1 64" elementType="H Cl Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4102.396999999995</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="1.08849"
                           xFract="0.07108174"
                           y3="0.61473"
                           yFract="0.06852994"
                           z3="5.37796"
                           zFract="0.24940109"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="2.35971"
                           xFract="0.07025307"
                           y3="2.8425"
                           yFract="0.31688115"
                           z3="5.53376"
                           zFract="0.24935826"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="3.66835"
                           xFract="0.31967415"
                           y3="0.62893"
                           yFract="0.07011295"
                           z3="5.56314"
                           zFract="0.25066432"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.92868"
                           xFract="0.31805326"
                           y3="2.85201"
                           yFract="0.31794133"
                           z3="5.69628"
                           zFract="0.24959233"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.18691"
                           xFract="0.1425586"
                           y3="1.23963"
                           yFract="0.13819363"
                           z3="7.58638"
                           zFract="0.34931404"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="3.50446"
                           xFract="0.14006444"
                           y3="3.57804"
                           yFract="0.39887896"
                           z3="7.75172"
                           zFract="0.34940254"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="4.85927"
                           xFract="0.39941778"
                           y3="1.26598"
                           yFract="0.14113112"
                           z3="7.82334"
                           zFract="0.35273147"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.14723"
                           xFract="0.3978722"
                           y3="3.5358"
                           yFract="0.39417006"
                           z3="7.89229"
                           zFract="0.34847516"/>
                     <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="3.64079"
                           xFract="0.07004989"
                           y3="5.07617"
                           yFract="0.5658901"
                           z3="5.70019"
                           zFract="0.24977832"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.92929"
                           xFract="0.06890302"
                           y3="7.33975"
                           yFract="0.8182334"
                           z3="5.81643"
                           zFract="0.24776058"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.23085"
                           xFract="0.32037074"
                           y3="5.0770"
                           yFract="0.56598263"
                           z3="5.85035"
                           zFract="0.24938326"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.51644"
                           xFract="0.31888038"
                           y3="7.3417"
                           yFract="0.81845079"
                           z3="5.98275"
                           zFract="0.24813399"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.82176"
                           xFract="0.14537434"
                           y3="5.77548"
                           yFract="0.64384899"
                           z3="7.85165"
                           zFract="0.34664315"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.08851"
                           xFract="0.14495655"
                           y3="7.98807"
                           yFract="0.89050795"
                           z3="8.00693"
                           zFract="0.34661404"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="7.40599"
                           xFract="0.395557"
                           y3="5.76865"
                           yFract="0.64308759"
                           z3="8.01514"
                           zFract="0.34690621"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.69538"
                           xFract="0.39751595"
                           y3="7.97785"
                           yFract="0.88936862"
                           z3="8.15307"
                           zFract="0.3459994"/>
                     <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="6.21824"
                           xFract="0.56678502"
                           y3="0.61764"
                           yFract="0.06885435"
                           z3="5.68878"
                           zFract="0.24924931"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="7.53157"
                           xFract="0.56952102"
                           y3="2.85452"
                           yFract="0.31822114"
                           z3="5.81327"
                           zFract="0.2475935"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="8.79955"
                           xFract="0.81650217"
                           y3="0.61411"
                           yFract="0.06846082"
                           z3="5.84263"
                           zFract="0.24906077"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.1138"
                           xFract="0.81988074"
                           y3="2.84102"
                           yFract="0.31671616"
                           z3="5.98582"
                           zFract="0.24830065"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.42344"
                           xFract="0.64672232"
                           y3="1.27606"
                           yFract="0.14225483"
                           z3="7.9069"
                           zFract="0.34925551"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="8.71909"
                           xFract="0.64646485"
                           y3="3.53607"
                           yFract="0.39420016"
                           z3="8.00587"
                           zFract="0.34640883"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="9.97318"
                           xFract="0.89346441"
                           y3="1.27115"
                           yFract="0.14170747"
                           z3="7.99976"
                           zFract="0.34628472"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.24846"
                           xFract="0.89080529"
                           y3="3.53895"
                           yFract="0.39452122"
                           z3="8.14864"
                           zFract="0.34583704"/>
                     <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="0.56941427"
                           y3="5.09601"
                           yFract="0.56810186"
                           z3="5.9913"
                           zFract="0.24853159"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="10.10548"
                           xFract="0.56958131"
                           y3="7.33391"
                           yFract="0.81758236"
                           z3="6.14511"
                           zFract="0.2483315"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="11.40917"
                           xFract="0.82021816"
                           y3="5.08983"
                           yFract="0.56741291"
                           z3="6.15081"
                           zFract="0.2485863"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.6935"
                           xFract="0.81936345"
                           y3="7.34089"
                           yFract="0.81836049"
                           z3="6.2981"
                           zFract="0.24806549"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.98595"
                           xFract="0.64506258"
                           y3="5.76658"
                           yFract="0.64285682"
                           z3="8.18646"
                           zFract="0.34754283"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="11.27542"
                           xFract="0.64647172"
                           y3="7.98582"
                           yFract="0.89025712"
                           z3="8.32081"
                           zFract="0.34645022"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="12.56149"
                           xFract="0.89286313"
                           y3="5.78752"
                           yFract="0.64519121"
                           z3="8.33095"
                           zFract="0.34688875"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.85651"
                           xFract="0.89488206"
                           y3="8.00544"
                           yFract="0.89244435"
                           z3="8.48655"
                           zFract="0.34678426"/>
                     <atom elementType="Cl"
                           id="a65"
                           x3="3.1099"
                           xFract="0.18587476"
                           y3="2.06627"
                           yFract="0.23034724"
                           z3="9.58654"
                           zFract="0.43957688"/>
                     <atom elementType="H"
                           id="a66"
                           x3="6.16762"
                           xFract="0.48347027"
                           y3="2.02985"
                           yFract="0.22628715"
                           z3="8.78331"
                           zFract="0.39294265"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a4" 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 a8" order="S"/>
                     <bond atomRefs2="a4 a19" 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 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a27" 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 a42" 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 a27" order="S"/>
                     <bond atomRefs2="a8 a42" 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 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a25" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a41" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a42" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a27" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a65" order="S"/>
                     <bond atomRefs2="a14 a29" order="S"/>
                     <bond atomRefs2="a14 a25" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a66" order="S"/>
                     <bond atomRefs2="a15 a45" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a16 a66" order="S"/>
                     <bond atomRefs2="a16 a42" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a31" order="S"/>
                     <bond atomRefs2="a16 a27" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a46" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a19" 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 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a27" 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 a58" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a42" order="S"/>
                     <bond atomRefs2="a27 a57" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a58" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a61" order="S"/>
                     <bond atomRefs2="a31 a46" order="S"/>
                     <bond atomRefs2="a31 a57" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a62" order="S"/>
                     <bond atomRefs2="a32 a58" 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 a43" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a42" 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 a59" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a59" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a57" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a44 a59" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a45 a66" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a46 a61" order="S"/>
                     <bond atomRefs2="a46 a57" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a48 a59" order="S"/>
                     <bond atomRefs2="a48 a63" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                  </bondArray>
                  <formula concise="HClCu64">
                     <atomArray count="1 1 64" elementType="H Cl Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4102.396999999995</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="1.08849"
                           xFract="0.07108229"
                           y3="0.61472"
                           yFract="0.06852882"
                           z3="5.37754"
                           zFract="0.24938131"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="2.35939"
                           xFract="0.07021326"
                           y3="2.84266"
                           yFract="0.31689899"
                           z3="5.53375"
                           zFract="0.24935844"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="3.66813"
                           xFract="0.3196962"
                           y3="0.62815"
                           yFract="0.070026"
                           z3="5.56291"
                           zFract="0.25065542"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.92896"
                           xFract="0.3180881"
                           y3="2.85187"
                           yFract="0.31792572"
                           z3="5.69598"
                           zFract="0.24957761"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.18728"
                           xFract="0.14258992"
                           y3="1.23971"
                           yFract="0.13820255"
                           z3="7.58689"
                           zFract="0.34933688"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="3.50405"
                           xFract="0.14001815"
                           y3="3.57816"
                           yFract="0.39889234"
                           z3="7.75161"
                           zFract="0.34939834"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="4.85881"
                           xFract="0.39938109"
                           y3="1.26584"
                           yFract="0.14111551"
                           z3="7.82343"
                           zFract="0.35273727"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.14742"
                           xFract="0.39786502"
                           y3="3.53626"
                           yFract="0.39422134"
                           z3="7.89337"
                           zFract="0.34852476"/>
                     <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="3.64067"
                           xFract="0.07002607"
                           y3="5.07639"
                           yFract="0.56591462"
                           z3="5.70022"
                           zFract="0.24977971"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.92946"
                           xFract="0.06893667"
                           y3="7.33944"
                           yFract="0.81819884"
                           z3="5.8166"
                           zFract="0.24776862"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.2310"
                           xFract="0.32037358"
                           y3="5.07721"
                           yFract="0.56600604"
                           z3="5.85015"
                           zFract="0.24937305"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.51586"
                           xFract="0.31881876"
                           y3="7.3418"
                           yFract="0.81846194"
                           z3="5.98214"
                           zFract="0.24810673"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.82163"
                           xFract="0.1453329"
                           y3="5.7760"
                           yFract="0.64390696"
                           z3="7.85177"
                           zFract="0.34664831"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.08819"
                           xFract="0.14495061"
                           y3="7.98762"
                           yFract="0.89045778"
                           z3="8.00703"
                           zFract="0.34662043"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="7.40573"
                           xFract="0.39557741"
                           y3="5.76783"
                           yFract="0.64299617"
                           z3="8.0152"
                           zFract="0.34691116"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.69507"
                           xFract="0.39748043"
                           y3="7.97795"
                           yFract="0.88937977"
                           z3="8.15311"
                           zFract="0.34600201"/>
                     <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="6.21821"
                           xFract="0.56676991"
                           y3="0.61786"
                           yFract="0.06887887"
                           z3="5.68818"
                           zFract="0.24922074"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="7.53101"
                           xFract="0.56945856"
                           y3="2.85467"
                           yFract="0.31823786"
                           z3="5.81306"
                           zFract="0.24758496"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="8.79965"
                           xFract="0.81652961"
                           y3="0.61379"
                           yFract="0.06842515"
                           z3="5.8436"
                           zFract="0.24910675"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.11389"
                           xFract="0.81987223"
                           y3="2.84133"
                           yFract="0.31675072"
                           z3="5.98598"
                           zFract="0.24830742"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.42303"
                           xFract="0.64668547"
                           y3="1.27601"
                           yFract="0.14224926"
                           z3="7.90723"
                           zFract="0.34927234"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="8.71853"
                           xFract="0.64639739"
                           y3="3.53631"
                           yFract="0.39422691"
                           z3="8.00589"
                           zFract="0.34641098"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="9.97231"
                           xFract="0.89337142"
                           y3="1.27131"
                           yFract="0.14172531"
                           z3="7.99963"
                           zFract="0.34628083"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.24877"
                           xFract="0.89083248"
                           y3="3.5390"
                           yFract="0.39452679"
                           z3="8.14894"
                           zFract="0.3458502"/>
                     <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="8.8180"
                           xFract="0.56941462"
                           y3="5.09576"
                           yFract="0.56807399"
                           z3="5.99156"
                           zFract="0.24854467"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="10.1057"
                           xFract="0.56958703"
                           y3="7.33419"
                           yFract="0.81761358"
                           z3="6.14516"
                           zFract="0.24833275"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="11.40851"
                           xFract="0.82012326"
                           y3="5.09039"
                           yFract="0.56747534"
                           z3="6.15066"
                           zFract="0.2485802"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.69324"
                           xFract="0.81933387"
                           y3="7.34097"
                           yFract="0.81836941"
                           z3="6.29797"
                           zFract="0.24805998"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.98586"
                           xFract="0.64505666"
                           y3="5.76653"
                           yFract="0.64285125"
                           z3="8.18628"
                           zFract="0.34753469"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="11.27513"
                           xFract="0.64645813"
                           y3="7.98556"
                           yFract="0.89022813"
                           z3="8.32076"
                           zFract="0.34644914"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="12.56157"
                           xFract="0.89286475"
                           y3="5.78763"
                           yFract="0.64520347"
                           z3="8.3311"
                           zFract="0.34689541"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.85679"
                           xFract="0.89490135"
                           y3="8.00558"
                           yFract="0.89245996"
                           z3="8.48614"
                           zFract="0.34676389"/>
                     <atom elementType="Cl"
                           id="a65"
                           x3="3.10753"
                           xFract="0.18546074"
                           y3="2.0696"
                           yFract="0.23071846"
                           z3="9.58659"
                           zFract="0.43958052"/>
                     <atom elementType="H"
                           id="a66"
                           x3="6.16639"
                           xFract="0.48339858"
                           y3="2.0290"
                           yFract="0.22619239"
                           z3="8.78288"
                           zFract="0.39292735"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a4" 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 a8" order="S"/>
                     <bond atomRefs2="a4 a19" 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 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a27" 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 a42" 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 a27" order="S"/>
                     <bond atomRefs2="a8 a42" 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 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a25" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a41" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a42" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a27" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a65" order="S"/>
                     <bond atomRefs2="a14 a29" order="S"/>
                     <bond atomRefs2="a14 a25" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a66" order="S"/>
                     <bond atomRefs2="a15 a45" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a16 a66" order="S"/>
                     <bond atomRefs2="a16 a42" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a31" order="S"/>
                     <bond atomRefs2="a16 a27" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a46" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a19" 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 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a27" 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 a58" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a42" order="S"/>
                     <bond atomRefs2="a27 a57" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a58" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a61" order="S"/>
                     <bond atomRefs2="a31 a46" order="S"/>
                     <bond atomRefs2="a31 a57" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a62" order="S"/>
                     <bond atomRefs2="a32 a58" 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 a43" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a42" 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 a59" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a59" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a57" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a44 a59" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a45 a66" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a46 a61" order="S"/>
                     <bond atomRefs2="a46 a57" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a48 a59" order="S"/>
                     <bond atomRefs2="a48 a63" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                  </bondArray>
                  <formula concise="HClCu64">
                     <atomArray count="1 1 64" elementType="H Cl Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4102.396999999995</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="1.08848"
                           xFract="0.07108355"
                           y3="0.61468"
                           yFract="0.06852437"
                           z3="5.37671"
                           zFract="0.24934227"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="2.35874"
                           xFract="0.07013154"
                           y3="2.8430"
                           yFract="0.31693689"
                           z3="5.53372"
                           zFract="0.24935834"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="3.66769"
                           xFract="0.3197403"
                           y3="0.62659"
                           yFract="0.06985209"
                           z3="5.56244"
                           zFract="0.25063713"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.92951"
                           xFract="0.31815681"
                           y3="2.85159"
                           yFract="0.3178945"
                           z3="5.69539"
                           zFract="0.24954868"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.18802"
                           xFract="0.14265312"
                           y3="1.23986"
                           yFract="0.13821927"
                           z3="7.58791"
                           zFract="0.34938259"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="3.50324"
                           xFract="0.13992541"
                           y3="3.57842"
                           yFract="0.39892132"
                           z3="7.75139"
                           zFract="0.34938987"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="4.85788"
                           xFract="0.39930619"
                           y3="1.26557"
                           yFract="0.14108541"
                           z3="7.82362"
                           zFract="0.35274937"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.14782"
                           xFract="0.39785205"
                           y3="3.53719"
                           yFract="0.39432501"
                           z3="7.89553"
                           zFract="0.3486239"/>
                     <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="3.64042"
                           xFract="0.06997692"
                           y3="5.07684"
                           yFract="0.56596479"
                           z3="5.70028"
                           zFract="0.24978251"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.92978"
                           xFract="0.06900203"
                           y3="7.33882"
                           yFract="0.81812973"
                           z3="5.81695"
                           zFract="0.24778523"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.23132"
                           xFract="0.32038119"
                           y3="5.07763"
                           yFract="0.56605286"
                           z3="5.84975"
                           zFract="0.24935257"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.51468"
                           xFract="0.31869359"
                           y3="7.3420"
                           yFract="0.81848423"
                           z3="5.98092"
                           zFract="0.24805228"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.82139"
                           xFract="0.14525195"
                           y3="5.77704"
                           yFract="0.6440229"
                           z3="7.85202"
                           zFract="0.34665905"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.08754"
                           xFract="0.14493831"
                           y3="7.98671"
                           yFract="0.89035633"
                           z3="8.00723"
                           zFract="0.34663326"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="7.40519"
                           xFract="0.39561739"
                           y3="5.76617"
                           yFract="0.64281112"
                           z3="8.01532"
                           zFract="0.34692115"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.69446"
                           xFract="0.39740925"
                           y3="7.97817"
                           yFract="0.8894043"
                           z3="8.1532"
                           zFract="0.34600765"/>
                     <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="6.21816"
                           xFract="0.5667412"
                           y3="0.61829"
                           yFract="0.06892681"
                           z3="5.68699"
                           zFract="0.24916406"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="7.52989"
                           xFract="0.56933363"
                           y3="2.85497"
                           yFract="0.31827131"
                           z3="5.81266"
                           zFract="0.24756884"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="8.79985"
                           xFract="0.81658559"
                           y3="0.61313"
                           yFract="0.06835157"
                           z3="5.84555"
                           zFract="0.24919922"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.11407"
                           xFract="0.8198552"
                           y3="2.84195"
                           yFract="0.31681984"
                           z3="5.98631"
                           zFract="0.24832142"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.42221"
                           xFract="0.64661231"
                           y3="1.2759"
                           yFract="0.142237"
                           z3="7.9079"
                           zFract="0.34930648"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="8.71742"
                           xFract="0.646264"
                           y3="3.53678"
                           yFract="0.39427931"
                           z3="8.00593"
                           zFract="0.34641529"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="9.97058"
                           xFract="0.89318698"
                           y3="1.27162"
                           yFract="0.14175986"
                           z3="7.99938"
                           zFract="0.34627352"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.24937"
                           xFract="0.89088548"
                           y3="3.53909"
                           yFract="0.39453682"
                           z3="8.14953"
                           zFract="0.34587614"/>
                     <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="8.81772"
                           xFract="0.56941587"
                           y3="5.09525"
                           yFract="0.56801713"
                           z3="5.99208"
                           zFract="0.24857085"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="10.10613"
                           xFract="0.56959694"
                           y3="7.33476"
                           yFract="0.81767712"
                           z3="6.14526"
                           zFract="0.24833528"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="11.40719"
                           xFract="0.81993402"
                           y3="5.0915"
                           yFract="0.56759908"
                           z3="6.15038"
                           zFract="0.24856895"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.69271"
                           xFract="0.81927486"
                           y3="7.34111"
                           yFract="0.81838502"
                           z3="6.29771"
                           zFract="0.24804902"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.98569"
                           xFract="0.64504689"
                           y3="5.76641"
                           yFract="0.64283787"
                           z3="8.18592"
                           zFract="0.34751841"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="11.27454"
                           xFract="0.64642942"
                           y3="7.98505"
                           yFract="0.89017128"
                           z3="8.32064"
                           zFract="0.34644603"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="12.56174"
                           xFract="0.89286952"
                           y3="5.78784"
                           yFract="0.64522688"
                           z3="8.3314"
                           zFract="0.34690872"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.85735"
                           xFract="0.89493994"
                           y3="8.00586"
                           yFract="0.89249117"
                           z3="8.48532"
                           zFract="0.34672314"/>
                     <atom elementType="Cl"
                           id="a65"
                           x3="3.10278"
                           xFract="0.18463064"
                           y3="2.07628"
                           yFract="0.23146315"
                           z3="9.58669"
                           zFract="0.43958778"/>
                     <atom elementType="H"
                           id="a66"
                           x3="6.16394"
                           xFract="0.48325615"
                           y3="2.0273"
                           yFract="0.22600287"
                           z3="8.78202"
                           zFract="0.39289671"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a4" 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 a8" order="S"/>
                     <bond atomRefs2="a4 a19" 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 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a27" 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 a42" 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 a27" order="S"/>
                     <bond atomRefs2="a8 a42" 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 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a25" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a41" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a42" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a27" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a65" order="S"/>
                     <bond atomRefs2="a14 a29" order="S"/>
                     <bond atomRefs2="a14 a25" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a66" order="S"/>
                     <bond atomRefs2="a15 a45" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a16 a66" order="S"/>
                     <bond atomRefs2="a16 a42" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a31" order="S"/>
                     <bond atomRefs2="a16 a27" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a46" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a19" 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 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a27" 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 a58" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a42" order="S"/>
                     <bond atomRefs2="a27 a57" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a58" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a61" order="S"/>
                     <bond atomRefs2="a31 a46" order="S"/>
                     <bond atomRefs2="a31 a57" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a62" order="S"/>
                     <bond atomRefs2="a32 a58" 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 a43" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a42" 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 a59" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a59" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a57" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a44 a59" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a45 a66" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a46 a61" order="S"/>
                     <bond atomRefs2="a46 a57" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a48 a59" order="S"/>
                     <bond atomRefs2="a48 a63" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                  </bondArray>
                  <formula concise="HClCu64">
                     <atomArray count="1 1 64" elementType="H Cl Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4102.396999999995</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="1.08849"
                           xFract="0.0710834"
                           y3="0.6147"
                           yFract="0.06852659"
                           z3="5.37723"
                           zFract="0.24936672"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="2.35914"
                           xFract="0.07018187"
                           y3="2.84279"
                           yFract="0.31691348"
                           z3="5.53374"
                           zFract="0.24935847"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="3.66796"
                           xFract="0.31971253"
                           y3="0.62756"
                           yFract="0.06996022"
                           z3="5.56273"
                           zFract="0.2506484"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.92917"
                           xFract="0.3181145"
                           y3="2.85176"
                           yFract="0.31791346"
                           z3="5.69576"
                           zFract="0.24956682"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.18756"
                           xFract="0.14261421"
                           y3="1.23976"
                           yFract="0.13820812"
                           z3="7.58727"
                           zFract="0.34935391"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="3.50375"
                           xFract="0.13998359"
                           y3="3.57826"
                           yFract="0.39890349"
                           z3="7.75152"
                           zFract="0.34939479"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="4.85846"
                           xFract="0.39935281"
                           y3="1.26574"
                           yFract="0.14110436"
                           z3="7.8235"
                           zFract="0.35274175"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.14757"
                           xFract="0.39786009"
                           y3="3.53661"
                           yFract="0.39426035"
                           z3="7.89418"
                           zFract="0.34856194"/>
                     <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="3.64057"
                           xFract="0.07000697"
                           y3="5.07656"
                           yFract="0.56593358"
                           z3="5.70024"
                           zFract="0.24978066"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.92958"
                           xFract="0.06896104"
                           y3="7.33921"
                           yFract="0.8181732"
                           z3="5.81673"
                           zFract="0.24777479"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.23112"
                           xFract="0.32037629"
                           y3="5.07737"
                           yFract="0.56602387"
                           z3="5.8500"
                           zFract="0.24936536"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.51541"
                           xFract="0.31877082"
                           y3="7.34188"
                           yFract="0.81847085"
                           z3="5.98168"
                           zFract="0.24808621"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.82154"
                           xFract="0.14530254"
                           y3="5.77639"
                           yFract="0.64395044"
                           z3="7.85187"
                           zFract="0.34665263"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.08794"
                           xFract="0.14494532"
                           y3="7.98728"
                           yFract="0.89041988"
                           z3="8.00711"
                           zFract="0.34662549"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="7.40553"
                           xFract="0.39559306"
                           y3="5.7672"
                           yFract="0.64292594"
                           z3="8.01524"
                           zFract="0.34691468"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.69484"
                           xFract="0.39745375"
                           y3="7.97803"
                           yFract="0.88938869"
                           z3="8.15315"
                           zFract="0.34600443"/>
                     <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="6.21819"
                           xFract="0.56675909"
                           y3="0.61802"
                           yFract="0.06889671"
                           z3="5.68773"
                           zFract="0.24919932"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="7.53059"
                           xFract="0.56941185"
                           y3="2.85478"
                           yFract="0.31825012"
                           z3="5.81291"
                           zFract="0.24757892"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="8.79973"
                           xFract="0.81655123"
                           y3="0.61354"
                           yFract="0.06839728"
                           z3="5.84433"
                           zFract="0.24914136"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.11396"
                           xFract="0.81986622"
                           y3="2.84156"
                           yFract="0.31677636"
                           z3="5.9861"
                           zFract="0.24831249"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.42272"
                           xFract="0.64665772"
                           y3="1.27597"
                           yFract="0.1422448"
                           z3="7.90748"
                           zFract="0.34928508"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="8.71811"
                           xFract="0.6463468"
                           y3="3.53649"
                           yFract="0.39424698"
                           z3="8.00591"
                           zFract="0.34641284"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="9.97166"
                           xFract="0.89330248"
                           y3="1.27142"
                           yFract="0.14173757"
                           z3="7.99954"
                           zFract="0.34627828"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.2490"
                           xFract="0.89085305"
                           y3="3.53903"
                           yFract="0.39453014"
                           z3="8.14916"
                           zFract="0.34585986"/>
                     <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="8.81789"
                           xFract="0.56941454"
                           y3="5.09557"
                           yFract="0.56805281"
                           z3="5.99176"
                           zFract="0.24855474"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="10.10586"
                           xFract="0.56959083"
                           y3="7.3344"
                           yFract="0.81763699"
                           z3="6.1452"
                           zFract="0.24833383"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="11.40801"
                           xFract="0.82005216"
                           y3="5.0908"
                           yFract="0.56752105"
                           z3="6.15056"
                           zFract="0.24857624"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.69304"
                           xFract="0.81931176"
                           y3="7.34102"
                           yFract="0.81837498"
                           z3="6.29787"
                           zFract="0.24805576"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.98579"
                           xFract="0.64505267"
                           y3="5.76648"
                           yFract="0.64284568"
                           z3="8.18615"
                           zFract="0.34752885"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="11.2749"
                           xFract="0.64644645"
                           y3="7.98537"
                           yFract="0.89020695"
                           z3="8.32071"
                           zFract="0.34644776"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="12.56164"
                           xFract="0.89286708"
                           y3="5.78771"
                           yFract="0.64521239"
                           z3="8.33121"
                           zFract="0.34690026"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.8570"
                           xFract="0.89491555"
                           y3="8.00569"
                           yFract="0.89247222"
                           z3="8.48583"
                           zFract="0.34674848"/>
                     <atom elementType="Cl"
                           id="a65"
                           x3="3.10574"
                           xFract="0.18514833"
                           y3="2.07211"
                           yFract="0.23099828"
                           z3="9.58663"
                           zFract="0.43958338"/>
                     <atom elementType="H"
                           id="a66"
                           x3="6.16547"
                           xFract="0.48334518"
                           y3="2.02836"
                           yFract="0.22612104"
                           z3="8.78256"
                           zFract="0.39291598"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a4" 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 a8" order="S"/>
                     <bond atomRefs2="a4 a19" 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 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a27" 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 a42" 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 a27" order="S"/>
                     <bond atomRefs2="a8 a42" 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 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a25" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a41" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a42" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a27" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a65" order="S"/>
                     <bond atomRefs2="a14 a29" order="S"/>
                     <bond atomRefs2="a14 a25" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a66" order="S"/>
                     <bond atomRefs2="a15 a45" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a16 a66" order="S"/>
                     <bond atomRefs2="a16 a42" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a31" order="S"/>
                     <bond atomRefs2="a16 a27" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a46" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a19" 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 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a27" 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 a58" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a42" order="S"/>
                     <bond atomRefs2="a27 a57" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a58" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a61" order="S"/>
                     <bond atomRefs2="a31 a46" order="S"/>
                     <bond atomRefs2="a31 a57" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a62" order="S"/>
                     <bond atomRefs2="a32 a58" 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 a43" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a42" 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 a59" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a59" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a57" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a44 a59" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a45 a66" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a46 a61" order="S"/>
                     <bond atomRefs2="a46 a57" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a48 a59" order="S"/>
                     <bond atomRefs2="a48 a63" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                  </bondArray>
                  <formula concise="HClCu64">
                     <atomArray count="1 1 64" elementType="H Cl Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4102.396999999995</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="1.08832"
                           xFract="0.07104642"
                           y3="0.61507"
                           yFract="0.06856784"
                           z3="5.37777"
                           zFract="0.24939206"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="2.35915"
                           xFract="0.07013175"
                           y3="2.84371"
                           yFract="0.31701604"
                           z3="5.53403"
                           zFract="0.24937058"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="3.66776"
                           xFract="0.31969653"
                           y3="0.6275"
                           yFract="0.06995354"
                           z3="5.56288"
                           zFract="0.25065615"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.92874"
                           xFract="0.31808682"
                           y3="2.85151"
                           yFract="0.31788559"
                           z3="5.6956"
                           zFract="0.24956093"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.18737"
                           xFract="0.14261417"
                           y3="1.23943"
                           yFract="0.13817133"
                           z3="7.58702"
                           zFract="0.34934322"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="3.50392"
                           xFract="0.13997559"
                           y3="3.5787"
                           yFract="0.39895254"
                           z3="7.75105"
                           zFract="0.34937141"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="4.85859"
                           xFract="0.39937648"
                           y3="1.26554"
                           yFract="0.14108207"
                           z3="7.82335"
                           zFract="0.35273464"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.14722"
                           xFract="0.39784847"
                           y3="3.53621"
                           yFract="0.39421576"
                           z3="7.89502"
                           zFract="0.34860322"/>
                     <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="3.63992"
                           xFract="0.06997801"
                           y3="5.07595"
                           yFract="0.56586557"
                           z3="5.70064"
                           zFract="0.24980241"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.92973"
                           xFract="0.06902608"
                           y3="7.3383"
                           yFract="0.81807176"
                           z3="5.81624"
                           zFract="0.24775277"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.23031"
                           xFract="0.32032965"
                           y3="5.0768"
                           yFract="0.56596033"
                           z3="5.85012"
                           zFract="0.24937431"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.5148"
                           xFract="0.31873851"
                           y3="7.3414"
                           yFract="0.81841734"
                           z3="5.9817"
                           zFract="0.24808971"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.82112"
                           xFract="0.14527305"
                           y3="5.77619"
                           yFract="0.64392814"
                           z3="7.85239"
                           zFract="0.3466787"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.08882"
                           xFract="0.14500706"
                           y3="7.9877"
                           yFract="0.8904667"
                           z3="8.00733"
                           zFract="0.34663263"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="7.40443"
                           xFract="0.39549728"
                           y3="5.76701"
                           yFract="0.64290476"
                           z3="8.01547"
                           zFract="0.34692901"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.69331"
                           xFract="0.39730919"
                           y3="7.97797"
                           yFract="0.889382"
                           z3="8.15264"
                           zFract="0.3459849"/>
                     <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="6.21866"
                           xFract="0.56680563"
                           y3="0.6180"
                           yFract="0.06889448"
                           z3="5.68737"
                           zFract="0.24918102"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="7.53032"
                           xFract="0.56940407"
                           y3="2.85445"
                           yFract="0.31821334"
                           z3="5.8129"
                           zFract="0.24757978"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="8.79958"
                           xFract="0.8165184"
                           y3="0.61387"
                           yFract="0.06843407"
                           z3="5.84362"
                           zFract="0.24910777"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.11399"
                           xFract="0.8198297"
                           y3="2.84227"
                           yFract="0.31685551"
                           z3="5.9869"
                           zFract="0.24834894"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.4215"
                           xFract="0.64655978"
                           y3="1.27561"
                           yFract="0.14220467"
                           z3="7.90686"
                           zFract="0.34925997"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="8.71796"
                           xFract="0.64635951"
                           y3="3.5360"
                           yFract="0.39419235"
                           z3="8.00626"
                           zFract="0.34643059"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="9.97208"
                           xFract="0.89326034"
                           y3="1.27291"
                           yFract="0.14190367"
                           z3="7.99972"
                           zFract="0.34628306"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.24849"
                           xFract="0.89077099"
                           y3="3.53962"
                           yFract="0.39459591"
                           z3="8.14951"
                           zFract="0.34587685"/>
                     <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="8.8164"
                           xFract="0.56924607"
                           y3="5.09601"
                           yFract="0.56810186"
                           z3="5.99206"
                           zFract="0.24857245"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="10.10488"
                           xFract="0.56946223"
                           y3="7.33501"
                           yFract="0.81770499"
                           z3="6.14498"
                           zFract="0.24832526"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="11.40624"
                           xFract="0.81976889"
                           y3="5.09282"
                           yFract="0.56774624"
                           z3="6.1503"
                           zFract="0.24856571"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.69307"
                           xFract="0.81929967"
                           y3="7.34129"
                           yFract="0.81840508"
                           z3="6.29782"
                           zFract="0.24805286"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.98478"
                           xFract="0.64494726"
                           y3="5.76662"
                           yFract="0.64286128"
                           z3="8.18595"
                           zFract="0.3475221"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="11.27462"
                           xFract="0.64642494"
                           y3="7.98527"
                           yFract="0.8901958"
                           z3="8.32038"
                           zFract="0.34643318"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="12.56176"
                           xFract="0.89285369"
                           y3="5.78816"
                           yFract="0.64526256"
                           z3="8.33115"
                           zFract="0.34689634"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.85668"
                           xFract="0.89490905"
                           y3="8.00525"
                           yFract="0.89242317"
                           z3="8.48565"
                           zFract="0.34674166"/>
                     <atom elementType="Cl"
                           id="a65"
                           x3="3.10372"
                           xFract="0.18465431"
                           y3="2.07749"
                           yFract="0.23159804"
                           z3="9.58796"
                           zFract="0.43964293"/>
                     <atom elementType="H"
                           id="a66"
                           x3="6.16391"
                           xFract="0.48328768"
                           y3="2.02668"
                           yFract="0.22593375"
                           z3="8.78109"
                           zFract="0.39285398"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a4" 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 a8" order="S"/>
                     <bond atomRefs2="a4 a19" 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 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a27" 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 a42" 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 a27" order="S"/>
                     <bond atomRefs2="a8 a42" 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 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a25" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a41" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a42" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a27" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a65" order="S"/>
                     <bond atomRefs2="a14 a29" order="S"/>
                     <bond atomRefs2="a14 a25" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a66" order="S"/>
                     <bond atomRefs2="a15 a45" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a16 a66" order="S"/>
                     <bond atomRefs2="a16 a42" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a31" order="S"/>
                     <bond atomRefs2="a16 a27" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a46" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a19" 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 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a27" 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 a58" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a42" order="S"/>
                     <bond atomRefs2="a27 a57" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a58" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a61" order="S"/>
                     <bond atomRefs2="a31 a46" order="S"/>
                     <bond atomRefs2="a31 a57" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a62" order="S"/>
                     <bond atomRefs2="a32 a58" 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 a43" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a42" 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 a59" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a59" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a57" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a44 a59" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a45 a66" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a46 a61" order="S"/>
                     <bond atomRefs2="a46 a57" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a48 a59" order="S"/>
                     <bond atomRefs2="a48 a63" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                  </bondArray>
                  <formula concise="HClCu64">
                     <atomArray count="1 1 64" elementType="H Cl Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4102.396999999995</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="1.08822"
                           xFract="0.07102454"
                           y3="0.61529"
                           yFract="0.06859237"
                           z3="5.37811"
                           zFract="0.24940801"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="2.35915"
                           xFract="0.07009954"
                           y3="2.84429"
                           yFract="0.3170807"
                           z3="5.53422"
                           zFract="0.24937857"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="3.66763"
                           xFract="0.31968563"
                           y3="0.62747"
                           yFract="0.06995019"
                           z3="5.56298"
                           zFract="0.25066129"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.92848"
                           xFract="0.31807057"
                           y3="2.85135"
                           yFract="0.31786775"
                           z3="5.6955"
                           zFract="0.24955724"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.18726"
                           xFract="0.14261575"
                           y3="1.23921"
                           yFract="0.13814681"
                           z3="7.58686"
                           zFract="0.34933636"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="3.50402"
                           xFract="0.13997027"
                           y3="3.57897"
                           yFract="0.39898264"
                           z3="7.75076"
                           zFract="0.34935699"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="4.85867"
                           xFract="0.39939144"
                           y3="1.26541"
                           yFract="0.14106757"
                           z3="7.82325"
                           zFract="0.35272991"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.1470"
                           xFract="0.39784108"
                           y3="3.53596"
                           yFract="0.39418789"
                           z3="7.89555"
                           zFract="0.34862926"/>
                     <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="3.63951"
                           xFract="0.06995948"
                           y3="5.07557"
                           yFract="0.56582321"
                           z3="5.70089"
                           zFract="0.24981602"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.92982"
                           xFract="0.06906643"
                           y3="7.33773"
                           yFract="0.81800821"
                           z3="5.81593"
                           zFract="0.24773884"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.2298"
                           xFract="0.32029978"
                           y3="5.07645"
                           yFract="0.56592131"
                           z3="5.8502"
                           zFract="0.24938014"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.51441"
                           xFract="0.31871747"
                           y3="7.3411"
                           yFract="0.8183839"
                           z3="5.98172"
                           zFract="0.24809228"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.82085"
                           xFract="0.14525361"
                           y3="5.77607"
                           yFract="0.64391477"
                           z3="7.85272"
                           zFract="0.34669524"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.08936"
                           xFract="0.14504427"
                           y3="7.98797"
                           yFract="0.8904968"
                           z3="8.00747"
                           zFract="0.34663722"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="7.40374"
                           xFract="0.39543724"
                           y3="5.76689"
                           yFract="0.64289138"
                           z3="8.01562"
                           zFract="0.34693828"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.69234"
                           xFract="0.39721709"
                           y3="7.97794"
                           yFract="0.88937866"
                           z3="8.15233"
                           zFract="0.34597313"/>
                     <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="6.21895"
                           xFract="0.56683422"
                           y3="0.61799"
                           yFract="0.06889336"
                           z3="5.68714"
                           zFract="0.24916936"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="7.53015"
                           xFract="0.5693993"
                           y3="2.85424"
                           yFract="0.31818993"
                           z3="5.81289"
                           zFract="0.24758015"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="8.79948"
                           xFract="0.81649707"
                           y3="0.61408"
                           yFract="0.06845748"
                           z3="5.84318"
                           zFract="0.24908696"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.1140"
                           xFract="0.81980623"
                           y3="2.84271"
                           yFract="0.31690456"
                           z3="5.98739"
                           zFract="0.24837128"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.42073"
                           xFract="0.64649812"
                           y3="1.27538"
                           yFract="0.14217903"
                           z3="7.90647"
                           zFract="0.34924419"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="8.71787"
                           xFract="0.64636802"
                           y3="3.53569"
                           yFract="0.39415779"
                           z3="8.00648"
                           zFract="0.34644174"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="9.97235"
                           xFract="0.89323535"
                           y3="1.27383"
                           yFract="0.14200623"
                           z3="7.99983"
                           zFract="0.34628594"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.24817"
                           xFract="0.89071951"
                           y3="3.53999"
                           yFract="0.39463716"
                           z3="8.14972"
                           zFract="0.34588706"/>
                     <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="8.81546"
                           xFract="0.56913966"
                           y3="5.09629"
                           yFract="0.56813307"
                           z3="5.99225"
                           zFract="0.24858365"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="10.10427"
                           xFract="0.56938216"
                           y3="7.33539"
                           yFract="0.81774735"
                           z3="6.14485"
                           zFract="0.24832026"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="11.40514"
                           xFract="0.81959259"
                           y3="5.09408"
                           yFract="0.5678867"
                           z3="6.15014"
                           zFract="0.24855924"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.69309"
                           xFract="0.81929216"
                           y3="7.34146"
                           yFract="0.81842403"
                           z3="6.29779"
                           zFract="0.24805111"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.98414"
                           xFract="0.6448804"
                           y3="5.76671"
                           yFract="0.64287132"
                           z3="8.18583"
                           zFract="0.34751813"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="11.27444"
                           xFract="0.64641087"
                           y3="7.98521"
                           yFract="0.89018911"
                           z3="8.32018"
                           zFract="0.34642437"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="12.56183"
                           xFract="0.89284435"
                           y3="5.78845"
                           yFract="0.64529489"
                           z3="8.33111"
                           zFract="0.34689376"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.85648"
                           xFract="0.89490415"
                           y3="8.00499"
                           yFract="0.89239418"
                           z3="8.48553"
                           zFract="0.34673701"/>
                     <atom elementType="Cl"
                           id="a65"
                           x3="3.10246"
                           xFract="0.18434648"
                           y3="2.08084"
                           yFract="0.2319715"
                           z3="9.58879"
                           zFract="0.4396801"/>
                     <atom elementType="H"
                           id="a66"
                           x3="6.16294"
                           xFract="0.48325222"
                           y3="2.02563"
                           yFract="0.2258167"
                           z3="8.78017"
                           zFract="0.39281516"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a4" 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 a8" order="S"/>
                     <bond atomRefs2="a4 a19" 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 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a27" 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 a42" 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 a27" order="S"/>
                     <bond atomRefs2="a8 a42" 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 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a25" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a41" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a42" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a27" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a65" order="S"/>
                     <bond atomRefs2="a14 a29" order="S"/>
                     <bond atomRefs2="a14 a25" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a66" order="S"/>
                     <bond atomRefs2="a15 a45" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a16 a66" order="S"/>
                     <bond atomRefs2="a16 a42" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a31" order="S"/>
                     <bond atomRefs2="a16 a27" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a46" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a19" 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 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a27" 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 a58" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a42" order="S"/>
                     <bond atomRefs2="a27 a57" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a58" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a61" order="S"/>
                     <bond atomRefs2="a31 a46" order="S"/>
                     <bond atomRefs2="a31 a57" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a62" order="S"/>
                     <bond atomRefs2="a32 a58" 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 a43" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a42" 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 a59" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a59" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a57" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a44 a59" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a45 a66" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a46 a61" order="S"/>
                     <bond atomRefs2="a46 a57" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a48 a59" order="S"/>
                     <bond atomRefs2="a48 a63" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                  </bondArray>
                  <formula concise="HClCu64">
                     <atomArray count="1 1 64" elementType="H Cl Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4102.396999999995</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="1.08801"
                           xFract="0.07097869"
                           y3="0.61575"
                           yFract="0.06864365"
                           z3="5.37878"
                           zFract="0.24943944"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="2.35916"
                           xFract="0.07003665"
                           y3="2.84544"
                           yFract="0.3172089"
                           z3="5.53458"
                           zFract="0.2493936"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="3.66738"
                           xFract="0.31966591"
                           y3="0.62739"
                           yFract="0.06994127"
                           z3="5.56317"
                           zFract="0.25067111"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.92795"
                           xFract="0.31803711"
                           y3="2.85103"
                           yFract="0.31783208"
                           z3="5.6953"
                           zFract="0.24954987"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.18703"
                           xFract="0.14261684"
                           y3="1.23879"
                           yFract="0.13809998"
                           z3="7.58654"
                           zFract="0.34932264"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="3.50423"
                           xFract="0.13996002"
                           y3="3.57952"
                           yFract="0.39904395"
                           z3="7.75017"
                           zFract="0.34932765"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="4.85884"
                           xFract="0.39942175"
                           y3="1.26516"
                           yFract="0.1410397"
                           z3="7.82305"
                           zFract="0.35272041"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.14655"
                           xFract="0.3978248"
                           y3="3.53547"
                           yFract="0.39413327"
                           z3="7.8966"
                           zFract="0.34868089"/>
                     <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="3.6387"
                           xFract="0.06992338"
                           y3="5.07481"
                           yFract="0.56573849"
                           z3="5.70139"
                           zFract="0.2498432"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.93001"
                           xFract="0.0691481"
                           y3="7.33659"
                           yFract="0.81788113"
                           z3="5.81532"
                           zFract="0.24771144"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.22878"
                           xFract="0.32024006"
                           y3="5.07575"
                           yFract="0.56584328"
                           z3="5.85035"
                           zFract="0.24939132"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.51364"
                           xFract="0.31867636"
                           y3="7.3405"
                           yFract="0.81831701"
                           z3="5.98175"
                           zFract="0.24809692"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.82032"
                           xFract="0.14521682"
                           y3="5.77581"
                           yFract="0.64388578"
                           z3="7.85338"
                           zFract="0.34672832"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.09045"
                           xFract="0.1451202"
                           y3="7.9885"
                           yFract="0.89055588"
                           z3="8.00774"
                           zFract="0.34664592"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="7.40237"
                           xFract="0.39531814"
                           y3="5.76665"
                           yFract="0.64286463"
                           z3="8.0159"
                           zFract="0.34695583"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.69042"
                           xFract="0.39703594"
                           y3="7.97786"
                           yFract="0.88936974"
                           z3="8.1517"
                           zFract="0.3459491"/>
                     <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="6.21953"
                           xFract="0.56689195"
                           y3="0.61796"
                           yFract="0.06889002"
                           z3="5.68668"
                           zFract="0.24914604"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="7.52982"
                           xFract="0.56939017"
                           y3="2.85383"
                           yFract="0.31814422"
                           z3="5.81288"
                           zFract="0.24758131"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="8.79929"
                           xFract="0.81645594"
                           y3="0.61449"
                           yFract="0.06850318"
                           z3="5.8423"
                           zFract="0.24904533"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.11404"
                           xFract="0.81976123"
                           y3="2.84359"
                           yFract="0.31700267"
                           z3="5.98838"
                           zFract="0.24841637"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.41921"
                           xFract="0.64637563"
                           y3="1.27494"
                           yFract="0.14212998"
                           z3="7.90569"
                           zFract="0.34921254"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="8.71768"
                           xFract="0.64638353"
                           y3="3.53508"
                           yFract="0.39408979"
                           z3="8.00693"
                           zFract="0.34646453"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="9.97287"
                           xFract="0.89318233"
                           y3="1.27569"
                           yFract="0.14221359"
                           z3="8.00006"
                           zFract="0.34629217"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.24753"
                           xFract="0.8906171"
                           y3="3.54072"
                           yFract="0.39471854"
                           z3="8.15016"
                           zFract="0.34590843"/>
                     <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="8.81359"
                           xFract="0.5689278"
                           y3="5.09685"
                           yFract="0.5681955"
                           z3="5.99262"
                           zFract="0.24860556"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="10.10306"
                           xFract="0.56922299"
                           y3="7.33615"
                           yFract="0.81783208"
                           z3="6.14458"
                           zFract="0.24830975"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="11.40293"
                           xFract="0.81923902"
                           y3="5.0966"
                           yFract="0.56816763"
                           z3="6.14981"
                           zFract="0.24854585"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.69313"
                           xFract="0.81927715"
                           y3="7.3418"
                           yFract="0.81846194"
                           z3="6.29773"
                           zFract="0.2480476"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.98288"
                           xFract="0.64474916"
                           y3="5.76688"
                           yFract="0.64289027"
                           z3="8.18559"
                           zFract="0.34751017"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="11.27408"
                           xFract="0.64638273"
                           y3="7.98509"
                           yFract="0.89017574"
                           z3="8.31977"
                           zFract="0.34640627"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="12.56198"
                           xFract="0.8928272"
                           y3="5.78902"
                           yFract="0.64535843"
                           z3="8.33104"
                           zFract="0.34688908"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.85608"
                           xFract="0.89489547"
                           y3="8.00445"
                           yFract="0.89233398"
                           z3="8.4853"
                           zFract="0.34672822"/>
                     <atom elementType="Cl"
                           id="a65"
                           x3="3.09994"
                           xFract="0.18372972"
                           y3="2.08756"
                           yFract="0.23272064"
                           z3="9.59044"
                           zFract="0.43975395"/>
                     <atom elementType="H"
                           id="a66"
                           x3="6.16099"
                           xFract="0.48318034"
                           y3="2.02353"
                           yFract="0.22558259"
                           z3="8.77833"
                           zFract="0.39273754"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a4" 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 a8" order="S"/>
                     <bond atomRefs2="a4 a19" 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 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a27" 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 a42" 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 a27" order="S"/>
                     <bond atomRefs2="a8 a42" 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 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a25" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a41" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a42" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a27" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a65" order="S"/>
                     <bond atomRefs2="a14 a29" order="S"/>
                     <bond atomRefs2="a14 a25" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a66" order="S"/>
                     <bond atomRefs2="a15 a45" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a16 a66" order="S"/>
                     <bond atomRefs2="a16 a42" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a31" order="S"/>
                     <bond atomRefs2="a16 a27" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a46" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a19" 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 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a27" 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 a58" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a42" order="S"/>
                     <bond atomRefs2="a27 a57" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a58" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a61" order="S"/>
                     <bond atomRefs2="a31 a46" order="S"/>
                     <bond atomRefs2="a31 a57" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a62" order="S"/>
                     <bond atomRefs2="a32 a58" 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 a43" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a42" 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 a59" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a59" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a57" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a44 a59" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a45 a66" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a46 a61" order="S"/>
                     <bond atomRefs2="a46 a57" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a48 a59" order="S"/>
                     <bond atomRefs2="a48 a63" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                  </bondArray>
                  <formula concise="HClCu64">
                     <atomArray count="1 1 64" elementType="H Cl Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4102.396999999995</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="1.08816"
                           xFract="0.07101207"
                           y3="0.61541"
                           yFract="0.06860575"
                           z3="5.37829"
                           zFract="0.24941647"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="2.35915"
                           xFract="0.07008233"
                           y3="2.8446"
                           yFract="0.31711526"
                           z3="5.53431"
                           zFract="0.2493823"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="3.66756"
                           xFract="0.31967998"
                           y3="0.62745"
                           yFract="0.06994796"
                           z3="5.56303"
                           zFract="0.25066389"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.92834"
                           xFract="0.31806204"
                           y3="2.85126"
                           yFract="0.31785772"
                           z3="5.69545"
                           zFract="0.24955543"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.1872"
                           xFract="0.14261606"
                           y3="1.2391"
                           yFract="0.13813454"
                           z3="7.58678"
                           zFract="0.34933294"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="3.50408"
                           xFract="0.13996774"
                           y3="3.57912"
                           yFract="0.39899936"
                           z3="7.7506"
                           zFract="0.34934903"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="4.85872"
                           xFract="0.39940016"
                           y3="1.26534"
                           yFract="0.14105977"
                           z3="7.8232"
                           zFract="0.35272752"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.14688"
                           xFract="0.3978367"
                           y3="3.53583"
                           yFract="0.3941734"
                           z3="7.89583"
                           zFract="0.34864303"/>
                     <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="3.63929"
                           xFract="0.06994987"
                           y3="5.07536"
                           yFract="0.5657998"
                           z3="5.70102"
                           zFract="0.24982313"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.92987"
                           xFract="0.06908792"
                           y3="7.33743"
                           yFract="0.81797477"
                           z3="5.81577"
                           zFract="0.24773166"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.22953"
                           xFract="0.32028368"
                           y3="5.07627"
                           yFract="0.56590125"
                           z3="5.85024"
                           zFract="0.24938311"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.5142"
                           xFract="0.31870606"
                           y3="7.34094"
                           yFract="0.81836606"
                           z3="5.98173"
                           zFract="0.24809363"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.82071"
                           xFract="0.14524397"
                           y3="5.7760"
                           yFract="0.64390696"
                           z3="7.8529"
                           zFract="0.34670425"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.08965"
                           xFract="0.14506453"
                           y3="7.98811"
                           yFract="0.89051241"
                           z3="8.00754"
                           zFract="0.34663945"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="7.40337"
                           xFract="0.39540481"
                           y3="5.76683"
                           yFract="0.64288469"
                           z3="8.01569"
                           zFract="0.34694275"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.69183"
                           xFract="0.39716946"
                           y3="7.97791"
                           yFract="0.88937531"
                           z3="8.15216"
                           zFract="0.34596664"/>
                     <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="6.21911"
                           xFract="0.56685024"
                           y3="0.61798"
                           yFract="0.06889225"
                           z3="5.68702"
                           zFract="0.24916325"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="7.53007"
                           xFract="0.56939768"
                           y3="2.85413"
                           yFract="0.31817766"
                           z3="5.81289"
                           zFract="0.24758056"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="8.79943"
                           xFract="0.81648613"
                           y3="0.61419"
                           yFract="0.06846974"
                           z3="5.84294"
                           zFract="0.2490756"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.11401"
                           xFract="0.81979442"
                           y3="2.84294"
                           yFract="0.3169302"
                           z3="5.98765"
                           zFract="0.24838312"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.42033"
                           xFract="0.64646612"
                           y3="1.27526"
                           yFract="0.14216565"
                           z3="7.90626"
                           zFract="0.34923564"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="8.71782"
                           xFract="0.64637208"
                           y3="3.53553"
                           yFract="0.39413996"
                           z3="8.0066"
                           zFract="0.34644781"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="9.97249"
                           xFract="0.89322112"
                           y3="1.27433"
                           yFract="0.14206197"
                           z3="7.99989"
                           zFract="0.34628753"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.2480"
                           xFract="0.89069252"
                           y3="3.54018"
                           yFract="0.39465834"
                           z3="8.14984"
                           zFract="0.34589289"/>
                     <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="8.81496"
                           xFract="0.569083"
                           y3="5.09644"
                           yFract="0.56814979"
                           z3="5.99235"
                           zFract="0.24858956"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="10.10395"
                           xFract="0.56933957"
                           y3="7.3356"
                           yFract="0.81777076"
                           z3="6.14478"
                           zFract="0.24831753"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="11.40455"
                           xFract="0.81949835"
                           y3="5.09475"
                           yFract="0.56796139"
                           z3="6.15005"
                           zFract="0.24855558"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.6931"
                           xFract="0.81928813"
                           y3="7.34155"
                           yFract="0.81843407"
                           z3="6.29778"
                           zFract="0.24805046"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.98381"
                           xFract="0.64484628"
                           y3="5.76675"
                           yFract="0.64287578"
                           z3="8.18577"
                           zFract="0.34751619"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="11.27434"
                           xFract="0.64640287"
                           y3="7.98518"
                           yFract="0.89018577"
                           z3="8.32007"
                           zFract="0.34641952"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="12.56187"
                           xFract="0.89283989"
                           y3="5.7886"
                           yFract="0.64531161"
                           z3="8.33109"
                           zFract="0.34689245"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.85637"
                           xFract="0.89490185"
                           y3="8.00484"
                           yFract="0.89237746"
                           z3="8.48547"
                           zFract="0.34673475"/>
                     <atom elementType="Cl"
                           id="a65"
                           x3="3.10178"
                           xFract="0.1841808"
                           y3="2.08264"
                           yFract="0.23217216"
                           z3="9.58923"
                           zFract="0.4396998"/>
                     <atom elementType="H"
                           id="a66"
                           x3="6.16241"
                           xFract="0.48323209"
                           y3="2.02507"
                           yFract="0.22575427"
                           z3="8.77968"
                           zFract="0.39279452"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a4" 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 a8" order="S"/>
                     <bond atomRefs2="a4 a19" 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 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a27" 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 a42" 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 a27" order="S"/>
                     <bond atomRefs2="a8 a42" 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 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a25" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a41" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a42" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a27" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a65" order="S"/>
                     <bond atomRefs2="a14 a29" order="S"/>
                     <bond atomRefs2="a14 a25" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a66" order="S"/>
                     <bond atomRefs2="a15 a45" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a16 a66" order="S"/>
                     <bond atomRefs2="a16 a42" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a31" order="S"/>
                     <bond atomRefs2="a16 a27" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a46" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a19" 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 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a27" 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 a58" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a42" order="S"/>
                     <bond atomRefs2="a27 a57" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a58" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a61" order="S"/>
                     <bond atomRefs2="a31 a46" order="S"/>
                     <bond atomRefs2="a31 a57" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a62" order="S"/>
                     <bond atomRefs2="a32 a58" 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 a43" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a42" 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 a59" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a59" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a57" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a44 a59" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a45 a66" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a46 a61" order="S"/>
                     <bond atomRefs2="a46 a57" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a48 a59" order="S"/>
                     <bond atomRefs2="a48 a63" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                  </bondArray>
                  <formula concise="HClCu64">
                     <atomArray count="1 1 64" elementType="H Cl Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4102.396999999995</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="1.08767"
                           xFract="0.07094583"
                           y3="0.61575"
                           yFract="0.06864365"
                           z3="5.37872"
                           zFract="0.24943759"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="2.35873"
                           xFract="0.06999675"
                           y3="2.84541"
                           yFract="0.31720556"
                           z3="5.53459"
                           zFract="0.24939536"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="3.66741"
                           xFract="0.31961661"
                           y3="0.62833"
                           yFract="0.07004606"
                           z3="5.56322"
                           zFract="0.25067181"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.92781"
                           xFract="0.31803524"
                           y3="2.85082"
                           yFract="0.31780867"
                           z3="5.69556"
                           zFract="0.24956288"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.18791"
                           xFract="0.14263472"
                           y3="1.2400"
                           yFract="0.13823487"
                           z3="7.5877"
                           zFract="0.34937277"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="3.50445"
                           xFract="0.14001461"
                           y3="3.57892"
                           yFract="0.39897706"
                           z3="7.75077"
                           zFract="0.34935631"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="4.85758"
                           xFract="0.39932606"
                           y3="1.26469"
                           yFract="0.14098731"
                           z3="7.82225"
                           zFract="0.35268711"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.14617"
                           xFract="0.39778862"
                           y3="3.53546"
                           yFract="0.39413215"
                           z3="7.89541"
                           zFract="0.34862589"/>
                     <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="3.63846"
                           xFract="0.06986742"
                           y3="5.0754"
                           yFract="0.56580426"
                           z3="5.70093"
                           zFract="0.24982122"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.92965"
                           xFract="0.06907776"
                           y3="7.33723"
                           yFract="0.81795247"
                           z3="5.81593"
                           zFract="0.24774017"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.22829"
                           xFract="0.32022434"
                           y3="5.07518"
                           yFract="0.56577973"
                           z3="5.85076"
                           zFract="0.24941302"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.51349"
                           xFract="0.31866186"
                           y3="7.3405"
                           yFract="0.81831701"
                           z3="5.98179"
                           zFract="0.24809924"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.82051"
                           xFract="0.14522797"
                           y3="5.77594"
                           yFract="0.64390027"
                           z3="7.85339"
                           zFract="0.34672803"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.0892"
                           xFract="0.14498882"
                           y3="7.98869"
                           yFract="0.89057706"
                           z3="8.00762"
                           zFract="0.34664355"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="7.40181"
                           xFract="0.3952529"
                           y3="5.76685"
                           yFract="0.64288692"
                           z3="8.01623"
                           zFract="0.34697267"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.69081"
                           xFract="0.39706919"
                           y3="7.97794"
                           yFract="0.88937866"
                           z3="8.15199"
                           zFract="0.34596151"/>
                     <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="6.21895"
                           xFract="0.56685421"
                           y3="0.61763"
                           yFract="0.06885323"
                           z3="5.68676"
                           zFract="0.24915204"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="7.5302"
                           xFract="0.56941302"
                           y3="2.85408"
                           yFract="0.31817209"
                           z3="5.81326"
                           zFract="0.24759772"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="8.80004"
                           xFract="0.81652733"
                           y3="0.61451"
                           yFract="0.06850541"
                           z3="5.84241"
                           zFract="0.24904832"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.1138"
                           xFract="0.8197347"
                           y3="2.84365"
                           yFract="0.31700936"
                           z3="5.98747"
                           zFract="0.24837406"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.42125"
                           xFract="0.64660225"
                           y3="1.27441"
                           yFract="0.14207089"
                           z3="7.90476"
                           zFract="0.34916369"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="8.71736"
                           xFract="0.64634649"
                           y3="3.53519"
                           yFract="0.39410205"
                           z3="8.0069"
                           zFract="0.34646385"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="9.97268"
                           xFract="0.89322394"
                           y3="1.27461"
                           yFract="0.14209319"
                           z3="7.99995"
                           zFract="0.34628934"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.2478"
                           xFract="0.89060267"
                           y3="3.54145"
                           yFract="0.39479992"
                           z3="8.15013"
                           zFract="0.34590502"/>
                     <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="8.81316"
                           xFract="0.56889234"
                           y3="5.09674"
                           yFract="0.56818324"
                           z3="5.99241"
                           zFract="0.24859708"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="10.10258"
                           xFract="0.56916327"
                           y3="7.33639"
                           yFract="0.81785883"
                           z3="6.14453"
                           zFract="0.24830838"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="11.40337"
                           xFract="0.81931932"
                           y3="5.09592"
                           yFract="0.56809182"
                           z3="6.15022"
                           zFract="0.24856505"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.69329"
                           xFract="0.81929706"
                           y3="7.34172"
                           yFract="0.81845302"
                           z3="6.29773"
                           zFract="0.24804727"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.9823"
                           xFract="0.64467754"
                           y3="5.76716"
                           yFract="0.64292148"
                           z3="8.18581"
                           zFract="0.34752175"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="11.27352"
                           xFract="0.64632916"
                           y3="7.98508"
                           yFract="0.89017462"
                           z3="8.31955"
                           zFract="0.34639753"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="12.56131"
                           xFract="0.89276743"
                           y3="5.78893"
                           yFract="0.6453484"
                           z3="8.3308"
                           zFract="0.34687985"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.85662"
                           xFract="0.89490602"
                           y3="8.0052"
                           yFract="0.89241759"
                           z3="8.4852"
                           zFract="0.3467207"/>
                     <atom elementType="Cl"
                           id="a65"
                           x3="3.0995"
                           xFract="0.18367275"
                           y3="2.08782"
                           yFract="0.23274963"
                           z3="9.58991"
                           zFract="0.43972979"/>
                     <atom elementType="H"
                           id="a66"
                           x3="6.16103"
                           xFract="0.48318421"
                           y3="2.02353"
                           yFract="0.22558259"
                           z3="8.77913"
                           zFract="0.39277514"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a4" 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 a8" order="S"/>
                     <bond atomRefs2="a4 a19" 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 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a27" 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 a42" 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 a27" order="S"/>
                     <bond atomRefs2="a8 a42" 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 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a25" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a41" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a42" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a27" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a65" order="S"/>
                     <bond atomRefs2="a14 a29" order="S"/>
                     <bond atomRefs2="a14 a25" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a66" order="S"/>
                     <bond atomRefs2="a15 a45" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a16 a66" order="S"/>
                     <bond atomRefs2="a16 a42" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a31" order="S"/>
                     <bond atomRefs2="a16 a27" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a46" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a19" 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 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a27" 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 a58" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a42" order="S"/>
                     <bond atomRefs2="a27 a57" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a58" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a61" order="S"/>
                     <bond atomRefs2="a31 a46" order="S"/>
                     <bond atomRefs2="a31 a57" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a62" order="S"/>
                     <bond atomRefs2="a32 a58" 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 a43" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a42" 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 a59" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a59" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a57" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a44 a59" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a45 a66" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a46 a61" order="S"/>
                     <bond atomRefs2="a46 a57" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a48 a59" order="S"/>
                     <bond atomRefs2="a48 a63" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                  </bondArray>
                  <formula concise="HClCu64">
                     <atomArray count="1 1 64" elementType="H Cl Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4102.396999999995</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="1.08743"
                           xFract="0.07091319"
                           y3="0.61592"
                           yFract="0.0686626"
                           z3="5.37894"
                           zFract="0.24944837"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="2.35852"
                           xFract="0.06995479"
                           y3="2.8458"
                           yFract="0.31724904"
                           z3="5.53473"
                           zFract="0.24940191"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="3.66733"
                           xFract="0.319585"
                           y3="0.62876"
                           yFract="0.070094"
                           z3="5.56332"
                           zFract="0.25067604"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.92756"
                           xFract="0.31802329"
                           y3="2.8506"
                           yFract="0.31778414"
                           z3="5.69562"
                           zFract="0.2495668"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.18826"
                           xFract="0.14264412"
                           y3="1.24044"
                           yFract="0.13828393"
                           z3="7.58816"
                           zFract="0.34939271"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="3.50464"
                           xFract="0.14003853"
                           y3="3.57882"
                           yFract="0.39896591"
                           z3="7.75085"
                           zFract="0.3493597"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="4.85703"
                           xFract="0.3992901"
                           y3="1.26438"
                           yFract="0.14095275"
                           z3="7.82179"
                           zFract="0.35266752"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.14583"
                           xFract="0.39776575"
                           y3="3.53528"
                           yFract="0.39411209"
                           z3="7.89521"
                           zFract="0.34861774"/>
                     <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="3.63806"
                           xFract="0.06982764"
                           y3="5.07542"
                           yFract="0.56580649"
                           z3="5.70088"
                           zFract="0.24981998"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.92954"
                           xFract="0.06907268"
                           y3="7.33713"
                           yFract="0.81794133"
                           z3="5.81601"
                           zFract="0.24774443"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.22769"
                           xFract="0.32019522"
                           y3="5.07466"
                           yFract="0.56572176"
                           z3="5.85102"
                           zFract="0.24942788"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.51314"
                           xFract="0.31864024"
                           y3="7.34028"
                           yFract="0.81829249"
                           z3="5.98182"
                           zFract="0.24810203"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.82041"
                           xFract="0.14521941"
                           y3="5.77592"
                           yFract="0.64389805"
                           z3="7.85362"
                           zFract="0.34673919"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.08898"
                           xFract="0.144952"
                           y3="7.98897"
                           yFract="0.89060828"
                           z3="8.00766"
                           zFract="0.3466456"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="7.40105"
                           xFract="0.39517944"
                           y3="5.76685"
                           yFract="0.64288692"
                           z3="8.01649"
                           zFract="0.34698713"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.69032"
                           xFract="0.39702072"
                           y3="7.97796"
                           yFract="0.88938089"
                           z3="8.15191"
                           zFract="0.34595912"/>
                     <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="6.21887"
                           xFract="0.56685647"
                           y3="0.61745"
                           yFract="0.06883316"
                           z3="5.68663"
                           zFract="0.24914644"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="7.53026"
                           xFract="0.56942049"
                           y3="2.85405"
                           yFract="0.31816874"
                           z3="5.81345"
                           zFract="0.24760655"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="8.80034"
                           xFract="0.816548"
                           y3="0.61466"
                           yFract="0.06852214"
                           z3="5.84215"
                           zFract="0.24903494"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.1137"
                           xFract="0.81970559"
                           y3="2.8440"
                           yFract="0.31704837"
                           z3="5.98738"
                           zFract="0.24836952"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.42171"
                           xFract="0.64667004"
                           y3="1.27399"
                           yFract="0.14202407"
                           z3="7.90402"
                           zFract="0.34912817"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="8.71714"
                           xFract="0.64633466"
                           y3="3.53502"
                           yFract="0.3940831"
                           z3="8.00704"
                           zFract="0.34647137"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="9.97277"
                           xFract="0.89322542"
                           y3="1.27474"
                           yFract="0.14210768"
                           z3="7.99998"
                           zFract="0.34629028"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.24771"
                           xFract="0.89055954"
                           y3="3.54207"
                           yFract="0.39486903"
                           z3="8.15027"
                           zFract="0.34591084"/>
                     <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="8.81228"
                           xFract="0.5687995"
                           y3="5.09688"
                           yFract="0.56819884"
                           z3="5.99244"
                           zFract="0.2486008"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="10.10191"
                           xFract="0.5690774"
                           y3="7.33677"
                           yFract="0.81790119"
                           z3="6.14441"
                           zFract="0.24830402"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="11.4028"
                           xFract="0.81923312"
                           y3="5.09648"
                           yFract="0.56815425"
                           z3="6.15031"
                           zFract="0.24857"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.69339"
                           xFract="0.81930228"
                           y3="7.3418"
                           yFract="0.81846194"
                           z3="6.29771"
                           zFract="0.2480459"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.98157"
                           xFract="0.64459587"
                           y3="5.76736"
                           yFract="0.64294378"
                           z3="8.18583"
                           zFract="0.34752446"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="11.27312"
                           xFract="0.64629382"
                           y3="7.98502"
                           yFract="0.89016793"
                           z3="8.3193"
                           zFract="0.346387"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="12.56104"
                           xFract="0.89273244"
                           y3="5.78909"
                           yFract="0.64536623"
                           z3="8.33066"
                           zFract="0.34687376"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.85674"
                           xFract="0.89490818"
                           y3="8.00537"
                           yFract="0.89243655"
                           z3="8.48506"
                           zFract="0.34671346"/>
                     <atom elementType="Cl"
                           id="a65"
                           x3="3.09839"
                           xFract="0.18342496"
                           y3="2.09035"
                           yFract="0.23303167"
                           z3="9.59024"
                           zFract="0.43974433"/>
                     <atom elementType="H"
                           id="a66"
                           x3="6.16036"
                           xFract="0.48316109"
                           y3="2.02278"
                           yFract="0.22549898"
                           z3="8.77886"
                           zFract="0.39276559"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a4" 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 a8" order="S"/>
                     <bond atomRefs2="a4 a19" 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 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a27" 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 a42" 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 a27" order="S"/>
                     <bond atomRefs2="a8 a42" 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 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a25" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a41" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a42" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a27" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a65" order="S"/>
                     <bond atomRefs2="a14 a29" order="S"/>
                     <bond atomRefs2="a14 a25" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a66" order="S"/>
                     <bond atomRefs2="a15 a45" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a16 a66" order="S"/>
                     <bond atomRefs2="a16 a42" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a31" order="S"/>
                     <bond atomRefs2="a16 a27" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a46" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a19" 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 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a27" 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 a58" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a42" order="S"/>
                     <bond atomRefs2="a27 a57" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a58" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a61" order="S"/>
                     <bond atomRefs2="a31 a46" order="S"/>
                     <bond atomRefs2="a31 a57" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a62" order="S"/>
                     <bond atomRefs2="a32 a58" 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 a43" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a42" 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 a59" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a59" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a57" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a44 a59" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a45 a66" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a46 a61" order="S"/>
                     <bond atomRefs2="a46 a57" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a48 a59" order="S"/>
                     <bond atomRefs2="a48 a63" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                  </bondArray>
                  <formula concise="HClCu64">
                     <atomArray count="1 1 64" elementType="H Cl Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4102.396999999995</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="1.08695"
                           xFract="0.07084846"
                           y3="0.61625"
                           yFract="0.06869939"
                           z3="5.37937"
                           zFract="0.24946948"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="2.35811"
                           xFract="0.06987129"
                           y3="2.84659"
                           yFract="0.31733711"
                           z3="5.5350"
                           zFract="0.24941451"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="3.66718"
                           xFract="0.31952274"
                           y3="0.62962"
                           yFract="0.07018987"
                           z3="5.5635"
                           zFract="0.25068352"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.92704"
                           xFract="0.3179969"
                           y3="2.85017"
                           yFract="0.3177362"
                           z3="5.69573"
                           zFract="0.24957421"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.18895"
                           xFract="0.1426625"
                           y3="1.24131"
                           yFract="0.13838091"
                           z3="7.58906"
                           zFract="0.3494317"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="3.50501"
                           xFract="0.1400854"
                           y3="3.57862"
                           yFract="0.39894362"
                           z3="7.75102"
                           zFract="0.34936698"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="4.85591"
                           xFract="0.39921738"
                           y3="1.26374"
                           yFract="0.1408814"
                           z3="7.82087"
                           zFract="0.35262845"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.14514"
                           xFract="0.3977196"
                           y3="3.53491"
                           yFract="0.39407084"
                           z3="7.8948"
                           zFract="0.34860102"/>
                     <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="3.63725"
                           xFract="0.06974768"
                           y3="5.07545"
                           yFract="0.56580983"
                           z3="5.70079"
                           zFract="0.24981802"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.92932"
                           xFract="0.06906252"
                           y3="7.33693"
                           yFract="0.81791903"
                           z3="5.81616"
                           zFract="0.24775247"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.22648"
                           xFract="0.32013712"
                           y3="5.0736"
                           yFract="0.5656036"
                           z3="5.85152"
                           zFract="0.24945672"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.51243"
                           xFract="0.31859549"
                           y3="7.33985"
                           yFract="0.81824455"
                           z3="5.98188"
                           zFract="0.24810763"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.82022"
                           xFract="0.14520438"
                           y3="5.77586"
                           yFract="0.64389136"
                           z3="7.8541"
                           zFract="0.34676247"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.08853"
                           xFract="0.14487741"
                           y3="7.98953"
                           yFract="0.89067071"
                           z3="8.00774"
                           zFract="0.34664974"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="7.39953"
                           xFract="0.39503139"
                           y3="5.76687"
                           yFract="0.64288915"
                           z3="8.01702"
                           zFract="0.34701647"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.68932"
                           xFract="0.39692294"
                           y3="7.97798"
                           yFract="0.88938312"
                           z3="8.15175"
                           zFract="0.34595443"/>
                     <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="6.21872"
                           xFract="0.56686085"
                           y3="0.61711"
                           yFract="0.06879526"
                           z3="5.68637"
                           zFract="0.24913518"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="7.53039"
                           xFract="0.56943583"
                           y3="2.8540"
                           yFract="0.31816317"
                           z3="5.81382"
                           zFract="0.24762371"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="8.80094"
                           xFract="0.81658822"
                           y3="0.61498"
                           yFract="0.06855781"
                           z3="5.84163"
                           zFract="0.24900816"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.11349"
                           xFract="0.81964698"
                           y3="2.84469"
                           yFract="0.31712529"
                           z3="5.9872"
                           zFract="0.24836049"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.42261"
                           xFract="0.64680313"
                           y3="1.27316"
                           yFract="0.14193154"
                           z3="7.90255"
                           zFract="0.34905765"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="8.71668"
                           xFract="0.64630852"
                           y3="3.53469"
                           yFract="0.39404631"
                           z3="8.00733"
                           zFract="0.34648692"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="9.97295"
                           xFract="0.89322782"
                           y3="1.27501"
                           yFract="0.14213778"
                           z3="8.00004"
                           zFract="0.34629214"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.24752"
                           xFract="0.89047176"
                           y3="3.54332"
                           yFract="0.39500838"
                           z3="8.15055"
                           zFract="0.34592251"/>
                     <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="8.81053"
                           xFract="0.56861424"
                           y3="5.09717"
                           yFract="0.56823117"
                           z3="5.99251"
                           zFract="0.24860867"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="10.10058"
                           xFract="0.56890552"
                           y3="7.33755"
                           yFract="0.81798815"
                           z3="6.14416"
                           zFract="0.24829477"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="11.40165"
                           xFract="0.81905865"
                           y3="5.09762"
                           yFract="0.56828134"
                           z3="6.15048"
                           zFract="0.24857943"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.69358"
                           xFract="0.81931121"
                           y3="7.34197"
                           yFract="0.81848089"
                           z3="6.29766"
                           zFract="0.24804271"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.9801"
                           xFract="0.64443101"
                           y3="5.76777"
                           yFract="0.64298949"
                           z3="8.18587"
                           zFract="0.34752991"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="11.27232"
                           xFract="0.64622204"
                           y3="7.98492"
                           yFract="0.89015679"
                           z3="8.3188"
                           zFract="0.3463659"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="12.56049"
                           xFract="0.89266095"
                           y3="5.78942"
                           yFract="0.64540302"
                           z3="8.33037"
                           zFract="0.34686112"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.85698"
                           xFract="0.89491195"
                           y3="8.00572"
                           yFract="0.89247556"
                           z3="8.4848"
                           zFract="0.34669993"/>
                     <atom elementType="Cl"
                           id="a65"
                           x3="3.09616"
                           xFract="0.18292896"
                           y3="2.0954"
                           yFract="0.23359464"
                           z3="9.59091"
                           zFract="0.43977392"/>
                     <atom elementType="H"
                           id="a66"
                           x3="6.15901"
                           xFract="0.48311389"
                           y3="2.02128"
                           yFract="0.22533176"
                           z3="8.77832"
                           zFract="0.39274653"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a4" 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 a8" order="S"/>
                     <bond atomRefs2="a4 a19" 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 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a27" 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 a42" 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 a27" order="S"/>
                     <bond atomRefs2="a8 a42" 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 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a25" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a41" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a42" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a27" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a65" order="S"/>
                     <bond atomRefs2="a14 a29" order="S"/>
                     <bond atomRefs2="a14 a25" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a66" order="S"/>
                     <bond atomRefs2="a15 a45" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a16 a66" order="S"/>
                     <bond atomRefs2="a16 a42" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a31" order="S"/>
                     <bond atomRefs2="a16 a27" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a46" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a19" 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 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a27" 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 a58" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a42" order="S"/>
                     <bond atomRefs2="a27 a57" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a58" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a61" order="S"/>
                     <bond atomRefs2="a31 a46" order="S"/>
                     <bond atomRefs2="a31 a57" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a62" order="S"/>
                     <bond atomRefs2="a32 a58" 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 a43" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a42" 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 a59" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a59" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a57" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a44 a59" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a45 a66" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a46 a61" order="S"/>
                     <bond atomRefs2="a46 a57" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a48 a59" order="S"/>
                     <bond atomRefs2="a48 a63" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                  </bondArray>
                  <formula concise="HClCu64">
                     <atomArray count="1 1 64" elementType="H Cl Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4102.396999999995</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="1.08718"
                           xFract="0.07087958"
                           y3="0.61609"
                           yFract="0.06868155"
                           z3="5.37916"
                           zFract="0.24945918"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="2.35831"
                           xFract="0.06991172"
                           y3="2.84621"
                           yFract="0.31729474"
                           z3="5.53487"
                           zFract="0.24940844"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="3.66725"
                           xFract="0.31955283"
                           y3="0.6292"
                           yFract="0.07014305"
                           z3="5.56341"
                           zFract="0.25067978"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.92729"
                           xFract="0.31800941"
                           y3="2.85038"
                           yFract="0.31775961"
                           z3="5.69568"
                           zFract="0.24957078"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.18862"
                           xFract="0.14265393"
                           y3="1.24089"
                           yFract="0.13833409"
                           z3="7.58862"
                           zFract="0.34941261"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="3.50483"
                           xFract="0.14006245"
                           y3="3.57872"
                           yFract="0.39895477"
                           z3="7.75094"
                           zFract="0.34936356"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="4.85645"
                           xFract="0.39925236"
                           y3="1.26405"
                           yFract="0.14091596"
                           z3="7.82131"
                           zFract="0.35264712"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.14547"
                           xFract="0.3977415"
                           y3="3.53509"
                           yFract="0.39409091"
                           z3="7.8950"
                           zFract="0.3486092"/>
                     <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="3.63764"
                           xFract="0.06978594"
                           y3="5.07544"
                           yFract="0.56580872"
                           z3="5.70084"
                           zFract="0.24981927"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.92943"
                           xFract="0.06906816"
                           y3="7.33702"
                           yFract="0.81792906"
                           z3="5.81609"
                           zFract="0.2477487"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.22707"
                           xFract="0.32016583"
                           y3="5.07411"
                           yFract="0.56566045"
                           z3="5.85128"
                           zFract="0.24944285"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.51277"
                           xFract="0.31861669"
                           y3="7.34006"
                           yFract="0.81826796"
                           z3="5.98185"
                           zFract="0.24810488"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.82031"
                           xFract="0.14521141"
                           y3="5.77589"
                           yFract="0.6438947"
                           z3="7.85387"
                           zFract="0.34675132"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.08875"
                           xFract="0.14491367"
                           y3="7.98926"
                           yFract="0.89064061"
                           z3="8.0077"
                           zFract="0.34664767"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="7.40026"
                           xFract="0.39510252"
                           y3="5.76686"
                           yFract="0.64288804"
                           z3="8.01677"
                           zFract="0.34700259"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.6898"
                           xFract="0.3969699"
                           y3="7.97797"
                           yFract="0.889382"
                           z3="8.15182"
                           zFract="0.34595636"/>
                     <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="6.21879"
                           xFract="0.56685818"
                           y3="0.61728"
                           yFract="0.06881421"
                           z3="5.6865"
                           zFract="0.24914083"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="7.53033"
                           xFract="0.56942836"
                           y3="2.85403"
                           yFract="0.31816652"
                           z3="5.81364"
                           zFract="0.24761534"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="8.80065"
                           xFract="0.81656908"
                           y3="0.61482"
                           yFract="0.06853997"
                           z3="5.84188"
                           zFract="0.24902105"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.11359"
                           xFract="0.81967552"
                           y3="2.84435"
                           yFract="0.31708739"
                           z3="5.98728"
                           zFract="0.24836454"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.42218"
                           xFract="0.64673935"
                           y3="1.27356"
                           yFract="0.14197613"
                           z3="7.90326"
                           zFract="0.3490917"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="8.7169"
                           xFract="0.64632091"
                           y3="3.53485"
                           yFract="0.39406415"
                           z3="8.00719"
                           zFract="0.34647942"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="9.97286"
                           xFract="0.89322634"
                           y3="1.27488"
                           yFract="0.14212329"
                           z3="8.00001"
                           zFract="0.3462912"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.24761"
                           xFract="0.89051377"
                           y3="3.54272"
                           yFract="0.3949415"
                           z3="8.15041"
                           zFract="0.34591665"/>
                     <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="8.81138"
                           xFract="0.56870418"
                           y3="5.09703"
                           yFract="0.56821557"
                           z3="5.99248"
                           zFract="0.24860503"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="10.10122"
                           xFract="0.56898849"
                           y3="7.33717"
                           yFract="0.81794579"
                           z3="6.14428"
                           zFract="0.24829921"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="11.4022"
                           xFract="0.81914236"
                           y3="5.09707"
                           yFract="0.56822003"
                           z3="6.15039"
                           zFract="0.24857452"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.69349"
                           xFract="0.81930695"
                           y3="7.34189"
                           yFract="0.81847197"
                           z3="6.29769"
                           zFract="0.24804452"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.98081"
                           xFract="0.64451075"
                           y3="5.76757"
                           yFract="0.64296719"
                           z3="8.18585"
                           zFract="0.34752725"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="11.27271"
                           xFract="0.64625697"
                           y3="7.98497"
                           yFract="0.89016236"
                           z3="8.31904"
                           zFract="0.34637601"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="12.56076"
                           xFract="0.89269594"
                           y3="5.78926"
                           yFract="0.64538518"
                           z3="8.33051"
                           zFract="0.34686721"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.85686"
                           xFract="0.89490979"
                           y3="8.00555"
                           yFract="0.89245661"
                           z3="8.48493"
                           zFract="0.34670669"/>
                     <atom elementType="Cl"
                           id="a65"
                           x3="3.09724"
                           xFract="0.18316886"
                           y3="2.09296"
                           yFract="0.23332263"
                           z3="9.59059"
                           zFract="0.43975979"/>
                     <atom elementType="H"
                           id="a66"
                           x3="6.15966"
                           xFract="0.48313674"
                           y3="2.0220"
                           yFract="0.22541203"
                           z3="8.77858"
                           zFract="0.39275572"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a4" 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 a8" order="S"/>
                     <bond atomRefs2="a4 a19" 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 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a27" 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 a42" 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 a27" order="S"/>
                     <bond atomRefs2="a8 a42" 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 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a25" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a41" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a42" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a27" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a65" order="S"/>
                     <bond atomRefs2="a14 a29" order="S"/>
                     <bond atomRefs2="a14 a25" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a66" order="S"/>
                     <bond atomRefs2="a15 a45" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a16 a66" order="S"/>
                     <bond atomRefs2="a16 a42" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a31" order="S"/>
                     <bond atomRefs2="a16 a27" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a46" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a19" 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 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a27" 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 a58" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a42" order="S"/>
                     <bond atomRefs2="a27 a57" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a58" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a61" order="S"/>
                     <bond atomRefs2="a31 a46" order="S"/>
                     <bond atomRefs2="a31 a57" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a62" order="S"/>
                     <bond atomRefs2="a32 a58" 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 a43" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a42" 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 a59" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a59" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a57" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a44 a59" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a45 a66" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a46 a61" order="S"/>
                     <bond atomRefs2="a46 a57" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a48 a59" order="S"/>
                     <bond atomRefs2="a48 a63" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                  </bondArray>
                  <formula concise="HClCu64">
                     <atomArray count="1 1 64" elementType="H Cl Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4102.396999999995</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="1.08749"
                           xFract="0.07089011"
                           y3="0.61644"
                           yFract="0.06872057"
                           z3="5.3792"
                           zFract="0.24945959"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="2.35711"
                           xFract="0.06978184"
                           y3="2.84646"
                           yFract="0.31732261"
                           z3="5.53493"
                           zFract="0.24941431"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="3.66604"
                           xFract="0.31940199"
                           y3="0.62981"
                           yFract="0.07021105"
                           z3="5.56316"
                           zFract="0.25067046"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.92707"
                           xFract="0.3179937"
                           y3="2.85028"
                           yFract="0.31774847"
                           z3="5.69552"
                           zFract="0.24956403"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.18891"
                           xFract="0.14260533"
                           y3="1.24227"
                           yFract="0.13848793"
                           z3="7.58971"
                           zFract="0.34946086"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="3.50483"
                           xFract="0.14003079"
                           y3="3.57929"
                           yFract="0.39901831"
                           z3="7.75124"
                           zFract="0.34937675"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="4.85638"
                           xFract="0.39926948"
                           y3="1.26362"
                           yFract="0.14086803"
                           z3="7.82033"
                           zFract="0.35260183"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.14516"
                           xFract="0.39780705"
                           y3="3.53337"
                           yFract="0.39389916"
                           z3="7.89464"
                           zFract="0.34859599"/>
                     <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="3.63727"
                           xFract="0.06972018"
                           y3="5.07598"
                           yFract="0.56586892"
                           z3="5.70063"
                           zFract="0.24980954"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.92911"
                           xFract="0.06901668"
                           y3="7.33739"
                           yFract="0.81797031"
                           z3="5.8166"
                           zFract="0.24777305"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.22607"
                           xFract="0.32006639"
                           y3="5.07416"
                           yFract="0.56566602"
                           z3="5.85113"
                           zFract="0.24943858"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="7.51192"
                           xFract="0.31851565"
                           y3="7.3404"
                           yFract="0.81830586"
                           z3="5.9819"
                           zFract="0.24810912"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.81964"
                           xFract="0.14511832"
                           y3="5.7764"
                           yFract="0.64395156"
                           z3="7.85376"
                           zFract="0.34674721"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.08758"
                           xFract="0.14476836"
                           y3="7.98984"
                           yFract="0.89070527"
                           z3="8.00795"
                           zFract="0.34666186"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="7.39921"
                           xFract="0.39500602"
                           y3="5.76677"
                           yFract="0.64287801"
                           z3="8.01727"
                           zFract="0.34702935"/>
                     <atom elementType="Cu"
                           id="a32"
                           x3="8.6895"
                           xFract="0.39691702"
                           y3="7.9784"
                           yFract="0.88942994"
                           z3="8.15208"
                           zFract="0.34596877"/>
                     <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="6.21869"
                           xFract="0.56685518"
                           y3="0.61716"
                           yFract="0.06880083"
                           z3="5.68603"
                           zFract="0.24911916"/>
                     <atom elementType="Cu"
                           id="a42"
                           x3="7.53029"
                           xFract="0.5694295"
                           y3="2.85394"
                           yFract="0.31815648"
                           z3="5.81354"
                           zFract="0.24761089"/>
                     <atom elementType="Cu"
                           id="a43"
                           x3="8.80128"
                           xFract="0.81663275"
                           y3="0.61477"
                           yFract="0.0685344"
                           z3="5.84179"
                           zFract="0.24901507"/>
                     <atom elementType="Cu"
                           id="a44"
                           x3="10.11347"
                           xFract="0.81964338"
                           y3="2.84472"
                           yFract="0.31712864"
                           z3="5.98684"
                           zFract="0.24834352"/>
                     <atom elementType="Cu"
                           id="a45"
                           x3="7.42164"
                           xFract="0.64667383"
                           y3="1.2738"
                           yFract="0.14200289"
                           z3="7.90337"
                           zFract="0.34909804"/>
                     <atom elementType="Cu"
                           id="a46"
                           x3="8.71653"
                           xFract="0.64626348"
                           y3="3.53524"
                           yFract="0.39410763"
                           z3="8.0071"
                           zFract="0.34647559"/>
                     <atom elementType="Cu"
                           id="a47"
                           x3="9.97324"
                           xFract="0.89328362"
                           y3="1.27451"
                           yFract="0.14208204"
                           z3="7.99992"
                           zFract="0.34628648"/>
                     <atom elementType="Cu"
                           id="a48"
                           x3="11.24744"
                           xFract="0.89046847"
                           y3="3.54324"
                           yFract="0.39499946"
                           z3="8.15011"
                           zFract="0.34590212"/>
                     <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="8.81065"
                           xFract="0.56864194"
                           y3="5.09688"
                           yFract="0.56819884"
                           z3="5.99254"
                           zFract="0.24861022"/>
                     <atom elementType="Cu"
                           id="a58"
                           x3="10.10057"
                           xFract="0.56892788"
                           y3="7.33713"
                           yFract="0.81794133"
                           z3="6.14408"
                           zFract="0.24829172"/>
                     <atom elementType="Cu"
                           id="a59"
                           x3="11.40192"
                           xFract="0.81914361"
                           y3="5.09656"
                           yFract="0.56816317"
                           z3="6.15082"
                           zFract="0.24859645"/>
                     <atom elementType="Cu"
                           id="a60"
                           x3="12.69304"
                           xFract="0.81924846"
                           y3="7.34216"
                           yFract="0.81850207"
                           z3="6.29767"
                           zFract="0.24804443"/>
                     <atom elementType="Cu"
                           id="a61"
                           x3="9.9793"
                           xFract="0.64433258"
                           y3="5.76815"
                           yFract="0.64303185"
                           z3="8.18597"
                           zFract="0.3475363"/>
                     <atom elementType="Cu"
                           id="a62"
                           x3="11.27179"
                           xFract="0.64617137"
                           y3="7.98491"
                           yFract="0.89015567"
                           z3="8.31864"
                           zFract="0.3463599"/>
                     <atom elementType="Cu"
                           id="a63"
                           x3="12.55992"
                           xFract="0.8925953"
                           y3="5.78961"
                           yFract="0.6454242"
                           z3="8.33045"
                           zFract="0.34686622"/>
                     <atom elementType="Cu"
                           id="a64"
                           x3="13.85701"
                           xFract="0.89489985"
                           y3="8.00599"
                           yFract="0.89250566"
                           z3="8.48469"
                           zFract="0.3466942"/>
                     <atom elementType="Cl"
                           id="a65"
                           x3="3.09538"
                           xFract="0.18283357"
                           y3="2.09576"
                           yFract="0.23363477"
                           z3="9.59115"
                           zFract="0.43978689"/>
                     <atom elementType="H"
                           id="a66"
                           x3="6.15974"
                           xFract="0.48321"
                           y3="2.02082"
                           yFract="0.22528048"
                           z3="8.77765"
                           zFract="0.39271361"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a4" 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 a8" order="S"/>
                     <bond atomRefs2="a4 a19" 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 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a17" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a25" order="S"/>
                     <bond atomRefs2="a6 a27" 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 a42" 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 a27" order="S"/>
                     <bond atomRefs2="a8 a42" 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 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a25" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a41" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a42" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a25" order="S"/>
                     <bond atomRefs2="a12 a27" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a65" order="S"/>
                     <bond atomRefs2="a14 a29" order="S"/>
                     <bond atomRefs2="a14 a25" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a66" order="S"/>
                     <bond atomRefs2="a15 a45" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a16 a66" order="S"/>
                     <bond atomRefs2="a16 a42" order="S"/>
                     <bond atomRefs2="a16 a45" order="S"/>
                     <bond atomRefs2="a16 a31" order="S"/>
                     <bond atomRefs2="a16 a27" order="S"/>
                     <bond atomRefs2="a16 a29" order="S"/>
                     <bond atomRefs2="a16 a46" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a21" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a22" order="S"/>
                     <bond atomRefs2="a18 a19" 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 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                     <bond atomRefs2="a20 a50" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a21 a22" order="S"/>
                     <bond atomRefs2="a21 a28" order="S"/>
                     <bond atomRefs2="a21 a27" 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 a58" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a28" order="S"/>
                     <bond atomRefs2="a24 a53" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a58" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a25 a29" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a25 a27" order="S"/>
                     <bond atomRefs2="a26 a30" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a27 a31" order="S"/>
                     <bond atomRefs2="a27 a28" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a42" order="S"/>
                     <bond atomRefs2="a27 a57" order="S"/>
                     <bond atomRefs2="a28 a30" order="S"/>
                     <bond atomRefs2="a28 a31" order="S"/>
                     <bond atomRefs2="a28 a32" order="S"/>
                     <bond atomRefs2="a28 a58" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a29 a31" order="S"/>
                     <bond atomRefs2="a30 a31" order="S"/>
                     <bond atomRefs2="a30 a32" order="S"/>
                     <bond atomRefs2="a31 a61" order="S"/>
                     <bond atomRefs2="a31 a46" order="S"/>
                     <bond atomRefs2="a31 a57" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a62" order="S"/>
                     <bond atomRefs2="a32 a58" 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 a43" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a37 a39" order="S"/>
                     <bond atomRefs2="a37 a42" 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 a59" order="S"/>
                     <bond atomRefs2="a38 a57" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a40" order="S"/>
                     <bond atomRefs2="a40 a59" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a53" order="S"/>
                     <bond atomRefs2="a40 a51" order="S"/>
                     <bond atomRefs2="a41 a45" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a42 a43" order="S"/>
                     <bond atomRefs2="a42 a46" order="S"/>
                     <bond atomRefs2="a42 a57" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a43 a47" order="S"/>
                     <bond atomRefs2="a43 a45" order="S"/>
                     <bond atomRefs2="a44 a59" order="S"/>
                     <bond atomRefs2="a44 a48" order="S"/>
                     <bond atomRefs2="a44 a46" order="S"/>
                     <bond atomRefs2="a44 a47" order="S"/>
                     <bond atomRefs2="a44 a57" order="S"/>
                     <bond atomRefs2="a45 a66" order="S"/>
                     <bond atomRefs2="a45 a46" order="S"/>
                     <bond atomRefs2="a45 a47" order="S"/>
                     <bond atomRefs2="a46 a61" order="S"/>
                     <bond atomRefs2="a46 a57" order="S"/>
                     <bond atomRefs2="a46 a47" order="S"/>
                     <bond atomRefs2="a46 a48" order="S"/>
                     <bond atomRefs2="a47 a48" order="S"/>
                     <bond atomRefs2="a48 a61" order="S"/>
                     <bond atomRefs2="a48 a59" order="S"/>
                     <bond atomRefs2="a48 a63" order="S"/>
                     <bond atomRefs2="a49 a53" order="S"/>
                     <bond atomRefs2="a49 a50" order="S"/>
                     <bond atomRefs2="a49 a51" order="S"/>
                     <bond atomRefs2="a50 a53" order="S"/>
                     <bond atomRefs2="a50 a52" order="S"/>
                     <bond atomRefs2="a50 a51" order="S"/>
                     <bond atomRefs2="a50 a54" order="S"/>
                     <bond atomRefs2="a51 a55" order="S"/>
                     <bond atomRefs2="a51 a53" order="S"/>
                     <bond atomRefs2="a51 a52" order="S"/>
                     <bond atomRefs2="a52 a55" order="S"/>
                     <bond atomRefs2="a52 a54" order="S"/>
                     <bond atomRefs2="a52 a56" order="S"/>
                     <bond atomRefs2="a53 a55" order="S"/>
                     <bond atomRefs2="a53 a60" order="S"/>
                     <bond atomRefs2="a53 a58" order="S"/>
                     <bond atomRefs2="a53 a54" order="S"/>
                     <bond atomRefs2="a53 a59" order="S"/>
                     <bond atomRefs2="a54 a55" order="S"/>
                     <bond atomRefs2="a54 a60" order="S"/>
                     <bond atomRefs2="a54 a56" order="S"/>
                     <bond atomRefs2="a55 a60" order="S"/>
                     <bond atomRefs2="a55 a56" order="S"/>
                     <bond atomRefs2="a57 a61" order="S"/>
                     <bond atomRefs2="a57 a59" order="S"/>
                     <bond atomRefs2="a57 a58" order="S"/>
                     <bond atomRefs2="a58 a60" order="S"/>
                     <bond atomRefs2="a58 a62" order="S"/>
                     <bond atomRefs2="a58 a61" order="S"/>
                     <bond atomRefs2="a58 a59" order="S"/>
                     <bond atomRefs2="a59 a61" order="S"/>
                     <bond atomRefs2="a59 a63" order="S"/>
                     <bond atomRefs2="a59 a60" order="S"/>
                     <bond atomRefs2="a60 a64" order="S"/>
                     <bond atomRefs2="a60 a62" order="S"/>
                     <bond atomRefs2="a60 a63" order="S"/>
                     <bond atomRefs2="a61 a63" order="S"/>
                     <bond atomRefs2="a61 a62" order="S"/>
                     <bond atomRefs2="a62 a64" order="S"/>
                     <bond atomRefs2="a62 a63" order="S"/>
                     <bond atomRefs2="a63 a64" order="S"/>
                  </bondArray>
                  <formula concise="HClCu64">
                     <atomArray count="1 1 64" elementType="H Cl Cu"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4102.396999999995</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="66">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</array>
                     <array dataType="xsd:double" dictRef="v:coeffs" size="66">-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="66">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="66">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="66">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">-91.78216795</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-91.79593510</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-91.78675700</array>
                     <array dataType="xsd:double"
                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">-1.5957</array>
                     <array dataType="xsd:double"
                            dictRef="cc:deltaEnergy"
                            size="1"
                            units="nonsi:electronvolt">0.1231722E-03</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="1.08749"
                        xFract="0.07089011"
                        y3="0.61644"
                        yFract="0.06872057"
                        z3="5.3792"
                        zFract="0.24945959"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="2.35711"
                        xFract="0.06978184"
                        y3="2.84646"
                        yFract="0.31732261"
                        z3="5.53493"
                        zFract="0.24941431"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="3.66604"
                        xFract="0.31940199"
                        y3="0.62981"
                        yFract="0.07021105"
                        z3="5.56316"
                        zFract="0.25067046"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="4.92707"
                        xFract="0.3179937"
                        y3="2.85028"
                        yFract="0.31774847"
                        z3="5.69552"
                        zFract="0.24956403"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="2.18891"
                        xFract="0.14260533"
                        y3="1.24227"
                        yFract="0.13848793"
                        z3="7.58971"
                        zFract="0.34946086"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="3.50483"
                        xFract="0.14003079"
                        y3="3.57929"
                        yFract="0.39901831"
                        z3="7.75124"
                        zFract="0.34937675"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="4.85638"
                        xFract="0.39926948"
                        y3="1.26362"
                        yFract="0.14086803"
                        z3="7.82033"
                        zFract="0.35260183"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="6.14516"
                        xFract="0.39780705"
                        y3="3.53337"
                        yFract="0.39389916"
                        z3="7.89464"
                        zFract="0.34859599"/>
                  <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="3.63727"
                        xFract="0.06972018"
                        y3="5.07598"
                        yFract="0.56586892"
                        z3="5.70063"
                        zFract="0.24980954"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="4.92911"
                        xFract="0.06901668"
                        y3="7.33739"
                        yFract="0.81797031"
                        z3="5.8166"
                        zFract="0.24777305"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="6.22607"
                        xFract="0.32006639"
                        y3="5.07416"
                        yFract="0.56566602"
                        z3="5.85113"
                        zFract="0.24943858"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="7.51192"
                        xFract="0.31851565"
                        y3="7.3404"
                        yFract="0.81830586"
                        z3="5.9819"
                        zFract="0.24810912"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="4.81964"
                        xFract="0.14511832"
                        y3="5.7764"
                        yFract="0.64395156"
                        z3="7.85376"
                        zFract="0.34674721"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="6.08758"
                        xFract="0.14476836"
                        y3="7.98984"
                        yFract="0.89070527"
                        z3="8.00795"
                        zFract="0.34666186"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="7.39921"
                        xFract="0.39500602"
                        y3="5.76677"
                        yFract="0.64287801"
                        z3="8.01727"
                        zFract="0.34702935"/>
                  <atom elementType="Cu"
                        id="a32"
                        x3="8.6895"
                        xFract="0.39691702"
                        y3="7.9784"
                        yFract="0.88942994"
                        z3="8.15208"
                        zFract="0.34596877"/>
                  <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="6.21869"
                        xFract="0.56685518"
                        y3="0.61716"
                        yFract="0.06880083"
                        z3="5.68603"
                        zFract="0.24911916"/>
                  <atom elementType="Cu"
                        id="a42"
                        x3="7.53029"
                        xFract="0.5694295"
                        y3="2.85394"
                        yFract="0.31815648"
                        z3="5.81354"
                        zFract="0.24761089"/>
                  <atom elementType="Cu"
                        id="a43"
                        x3="8.80128"
                        xFract="0.81663275"
                        y3="0.61477"
                        yFract="0.0685344"
                        z3="5.84179"
                        zFract="0.24901507"/>
                  <atom elementType="Cu"
                        id="a44"
                        x3="10.11347"
                        xFract="0.81964338"
                        y3="2.84472"
                        yFract="0.31712864"
                        z3="5.98684"
                        zFract="0.24834352"/>
                  <atom elementType="Cu"
                        id="a45"
                        x3="7.42164"
                        xFract="0.64667383"
                        y3="1.2738"
                        yFract="0.14200289"
                        z3="7.90337"
                        zFract="0.34909804"/>
                  <atom elementType="Cu"
                        id="a46"
                        x3="8.71653"
                        xFract="0.64626348"
                        y3="3.53524"
                        yFract="0.39410763"
                        z3="8.0071"
                        zFract="0.34647559"/>
                  <atom elementType="Cu"
                        id="a47"
                        x3="9.97324"
                        xFract="0.89328362"
                        y3="1.27451"
                        yFract="0.14208204"
                        z3="7.99992"
                        zFract="0.34628648"/>
                  <atom elementType="Cu"
                        id="a48"
                        x3="11.24744"
                        xFract="0.89046847"
                        y3="3.54324"
                        yFract="0.39499946"
                        z3="8.15011"
                        zFract="0.34590212"/>
                  <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="8.81065"
                        xFract="0.56864194"
                        y3="5.09688"
                        yFract="0.56819884"
                        z3="5.99254"
                        zFract="0.24861022"/>
                  <atom elementType="Cu"
                        id="a58"
                        x3="10.10057"
                        xFract="0.56892788"
                        y3="7.33713"
                        yFract="0.81794133"
                        z3="6.14408"
                        zFract="0.24829172"/>
                  <atom elementType="Cu"
                        id="a59"
                        x3="11.40192"
                        xFract="0.81914361"
                        y3="5.09656"
                        yFract="0.56816317"
                        z3="6.15082"
                        zFract="0.24859645"/>
                  <atom elementType="Cu"
                        id="a60"
                        x3="12.69304"
                        xFract="0.81924846"
                        y3="7.34216"
                        yFract="0.81850207"
                        z3="6.29767"
                        zFract="0.24804443"/>
                  <atom elementType="Cu"
                        id="a61"
                        x3="9.9793"
                        xFract="0.64433258"
                        y3="5.76815"
                        yFract="0.64303185"
                        z3="8.18597"
                        zFract="0.3475363"/>
                  <atom elementType="Cu"
                        id="a62"
                        x3="11.27179"
                        xFract="0.64617137"
                        y3="7.98491"
                        yFract="0.89015567"
                        z3="8.31864"
                        zFract="0.3463599"/>
                  <atom elementType="Cu"
                        id="a63"
                        x3="12.55992"
                        xFract="0.8925953"
                        y3="5.78961"
                        yFract="0.6454242"
                        z3="8.33045"
                        zFract="0.34686622"/>
                  <atom elementType="Cu"
                        id="a64"
                        x3="13.85701"
                        xFract="0.89489985"
                        y3="8.00599"
                        yFract="0.89250566"
                        z3="8.48469"
                        zFract="0.3466942"/>
                  <atom elementType="Cl"
                        id="a65"
                        x3="3.09538"
                        xFract="0.18283357"
                        y3="2.09576"
                        yFract="0.23363477"
                        z3="9.59115"
                        zFract="0.43978689"/>
                  <atom elementType="H"
                        id="a66"
                        x3="6.15974"
                        xFract="0.48321"
                        y3="2.02082"
                        yFract="0.22528048"
                        z3="8.77765"
                        zFract="0.39271361"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a5" order="S"/>
                  <bond atomRefs2="a1 a3" order="S"/>
                  <bond atomRefs2="a1 a2" order="S"/>
                  <bond atomRefs2="a2 a17" order="S"/>
                  <bond atomRefs2="a2 a6" order="S"/>
                  <bond atomRefs2="a2 a4" 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 a8" order="S"/>
                  <bond atomRefs2="a4 a19" 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 a10" order="S"/>
                  <bond atomRefs2="a5 a11" order="S"/>
                  <bond atomRefs2="a5 a6" order="S"/>
                  <bond atomRefs2="a6 a17" order="S"/>
                  <bond atomRefs2="a6 a21" order="S"/>
                  <bond atomRefs2="a6 a8" order="S"/>
                  <bond atomRefs2="a6 a25" order="S"/>
                  <bond atomRefs2="a6 a27" 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 a42" 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 a27" order="S"/>
                  <bond atomRefs2="a8 a42" 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 a11" order="S"/>
                  <bond atomRefs2="a9 a10" order="S"/>
                  <bond atomRefs2="a9 a13" order="S"/>
                  <bond atomRefs2="a10 a14" order="S"/>
                  <bond atomRefs2="a10 a12" order="S"/>
                  <bond atomRefs2="a10 a11" order="S"/>
                  <bond atomRefs2="a10 a13" order="S"/>
                  <bond atomRefs2="a10 a25" order="S"/>
                  <bond atomRefs2="a11 a12" order="S"/>
                  <bond atomRefs2="a11 a41" order="S"/>
                  <bond atomRefs2="a11 a15" order="S"/>
                  <bond atomRefs2="a11 a13" order="S"/>
                  <bond atomRefs2="a12 a14" order="S"/>
                  <bond atomRefs2="a12 a16" order="S"/>
                  <bond atomRefs2="a12 a15" order="S"/>
                  <bond atomRefs2="a12 a42" order="S"/>
                  <bond atomRefs2="a12 a41" order="S"/>
                  <bond atomRefs2="a12 a25" order="S"/>
                  <bond atomRefs2="a12 a27" order="S"/>
                  <bond atomRefs2="a13 a14" order="S"/>
                  <bond atomRefs2="a13 a15" order="S"/>
                  <bond atomRefs2="a13 a65" order="S"/>
                  <bond atomRefs2="a14 a29" order="S"/>
                  <bond atomRefs2="a14 a25" order="S"/>
                  <bond atomRefs2="a14 a16" order="S"/>
                  <bond atomRefs2="a14 a15" order="S"/>
                  <bond atomRefs2="a14 a65" order="S"/>
                  <bond atomRefs2="a15 a16" order="S"/>
                  <bond atomRefs2="a15 a66" order="S"/>
                  <bond atomRefs2="a15 a45" order="S"/>
                  <bond atomRefs2="a15 a41" order="S"/>
                  <bond atomRefs2="a16 a66" order="S"/>
                  <bond atomRefs2="a16 a42" order="S"/>
                  <bond atomRefs2="a16 a45" order="S"/>
                  <bond atomRefs2="a16 a31" order="S"/>
                  <bond atomRefs2="a16 a27" order="S"/>
                  <bond atomRefs2="a16 a29" order="S"/>
                  <bond atomRefs2="a16 a46" order="S"/>
                  <bond atomRefs2="a17 a18" order="S"/>
                  <bond atomRefs2="a17 a21" order="S"/>
                  <bond atomRefs2="a17 a19" order="S"/>
                  <bond atomRefs2="a18 a22" order="S"/>
                  <bond atomRefs2="a18 a19" 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 a24" order="S"/>
                  <bond atomRefs2="a20 a23" order="S"/>
                  <bond atomRefs2="a20 a50" order="S"/>
                  <bond atomRefs2="a20 a22" order="S"/>
                  <bond atomRefs2="a21 a22" order="S"/>
                  <bond atomRefs2="a21 a28" order="S"/>
                  <bond atomRefs2="a21 a27" 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 a58" order="S"/>
                  <bond atomRefs2="a23 a38" order="S"/>
                  <bond atomRefs2="a23 a57" order="S"/>
                  <bond atomRefs2="a23 a28" order="S"/>
                  <bond atomRefs2="a24 a53" order="S"/>
                  <bond atomRefs2="a24 a50" order="S"/>
                  <bond atomRefs2="a24 a58" order="S"/>
                  <bond atomRefs2="a24 a54" order="S"/>
                  <bond atomRefs2="a25 a29" order="S"/>
                  <bond atomRefs2="a25 a26" order="S"/>
                  <bond atomRefs2="a25 a27" order="S"/>
                  <bond atomRefs2="a26 a30" order="S"/>
                  <bond atomRefs2="a26 a29" order="S"/>
                  <bond atomRefs2="a26 a28" order="S"/>
                  <bond atomRefs2="a26 a27" order="S"/>
                  <bond atomRefs2="a27 a31" order="S"/>
                  <bond atomRefs2="a27 a28" order="S"/>
                  <bond atomRefs2="a27 a29" order="S"/>
                  <bond atomRefs2="a27 a42" order="S"/>
                  <bond atomRefs2="a27 a57" order="S"/>
                  <bond atomRefs2="a28 a30" order="S"/>
                  <bond atomRefs2="a28 a31" order="S"/>
                  <bond atomRefs2="a28 a32" order="S"/>
                  <bond atomRefs2="a28 a58" order="S"/>
                  <bond atomRefs2="a28 a57" order="S"/>
                  <bond atomRefs2="a29 a30" order="S"/>
                  <bond atomRefs2="a29 a31" order="S"/>
                  <bond atomRefs2="a30 a31" order="S"/>
                  <bond atomRefs2="a30 a32" order="S"/>
                  <bond atomRefs2="a31 a61" order="S"/>
                  <bond atomRefs2="a31 a46" order="S"/>
                  <bond atomRefs2="a31 a57" order="S"/>
                  <bond atomRefs2="a31 a32" order="S"/>
                  <bond atomRefs2="a32 a62" order="S"/>
                  <bond atomRefs2="a32 a58" 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 a43" order="S"/>
                  <bond atomRefs2="a37 a38" order="S"/>
                  <bond atomRefs2="a37 a39" order="S"/>
                  <bond atomRefs2="a37 a42" 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 a59" order="S"/>
                  <bond atomRefs2="a38 a57" order="S"/>
                  <bond atomRefs2="a38 a53" order="S"/>
                  <bond atomRefs2="a39 a44" order="S"/>
                  <bond atomRefs2="a39 a40" order="S"/>
                  <bond atomRefs2="a40 a59" order="S"/>
                  <bond atomRefs2="a40 a55" order="S"/>
                  <bond atomRefs2="a40 a53" order="S"/>
                  <bond atomRefs2="a40 a51" order="S"/>
                  <bond atomRefs2="a41 a45" order="S"/>
                  <bond atomRefs2="a41 a42" order="S"/>
                  <bond atomRefs2="a41 a43" order="S"/>
                  <bond atomRefs2="a42 a45" order="S"/>
                  <bond atomRefs2="a42 a44" order="S"/>
                  <bond atomRefs2="a42 a43" order="S"/>
                  <bond atomRefs2="a42 a46" order="S"/>
                  <bond atomRefs2="a42 a57" order="S"/>
                  <bond atomRefs2="a43 a44" order="S"/>
                  <bond atomRefs2="a43 a47" order="S"/>
                  <bond atomRefs2="a43 a45" order="S"/>
                  <bond atomRefs2="a44 a59" order="S"/>
                  <bond atomRefs2="a44 a48" order="S"/>
                  <bond atomRefs2="a44 a46" order="S"/>
                  <bond atomRefs2="a44 a47" order="S"/>
                  <bond atomRefs2="a44 a57" order="S"/>
                  <bond atomRefs2="a45 a66" order="S"/>
                  <bond atomRefs2="a45 a46" order="S"/>
                  <bond atomRefs2="a45 a47" order="S"/>
                  <bond atomRefs2="a46 a61" order="S"/>
                  <bond atomRefs2="a46 a57" order="S"/>
                  <bond atomRefs2="a46 a47" order="S"/>
                  <bond atomRefs2="a46 a48" order="S"/>
                  <bond atomRefs2="a47 a48" order="S"/>
                  <bond atomRefs2="a48 a61" order="S"/>
                  <bond atomRefs2="a48 a59" order="S"/>
                  <bond atomRefs2="a48 a63" order="S"/>
                  <bond atomRefs2="a49 a53" order="S"/>
                  <bond atomRefs2="a49 a50" order="S"/>
                  <bond atomRefs2="a49 a51" order="S"/>
                  <bond atomRefs2="a50 a53" order="S"/>
                  <bond atomRefs2="a50 a52" order="S"/>
                  <bond atomRefs2="a50 a51" order="S"/>
                  <bond atomRefs2="a50 a54" order="S"/>
                  <bond atomRefs2="a51 a55" order="S"/>
                  <bond atomRefs2="a51 a53" order="S"/>
                  <bond atomRefs2="a51 a52" order="S"/>
                  <bond atomRefs2="a52 a55" order="S"/>
                  <bond atomRefs2="a52 a54" order="S"/>
                  <bond atomRefs2="a52 a56" order="S"/>
                  <bond atomRefs2="a53 a55" order="S"/>
                  <bond atomRefs2="a53 a60" order="S"/>
                  <bond atomRefs2="a53 a58" order="S"/>
                  <bond atomRefs2="a53 a54" order="S"/>
                  <bond atomRefs2="a53 a59" order="S"/>
                  <bond atomRefs2="a54 a55" order="S"/>
                  <bond atomRefs2="a54 a60" order="S"/>
                  <bond atomRefs2="a54 a56" order="S"/>
                  <bond atomRefs2="a55 a60" order="S"/>
                  <bond atomRefs2="a55 a56" order="S"/>
                  <bond atomRefs2="a57 a61" order="S"/>
                  <bond atomRefs2="a57 a59" order="S"/>
                  <bond atomRefs2="a57 a58" order="S"/>
                  <bond atomRefs2="a58 a60" order="S"/>
                  <bond atomRefs2="a58 a62" order="S"/>
                  <bond atomRefs2="a58 a61" order="S"/>
                  <bond atomRefs2="a58 a59" order="S"/>
                  <bond atomRefs2="a59 a61" order="S"/>
                  <bond atomRefs2="a59 a63" order="S"/>
                  <bond atomRefs2="a59 a60" order="S"/>
                  <bond atomRefs2="a60 a64" order="S"/>
                  <bond atomRefs2="a60 a62" order="S"/>
                  <bond atomRefs2="a60 a63" order="S"/>
                  <bond atomRefs2="a61 a63" order="S"/>
                  <bond atomRefs2="a61 a62" order="S"/>
                  <bond atomRefs2="a62 a64" order="S"/>
                  <bond atomRefs2="a62 a63" order="S"/>
                  <bond atomRefs2="a63 a64" order="S"/>
               </bondArray>
               <formula concise="HClCu64">
                  <atomArray count="1 1 64" elementType="H Cl Cu"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">4102.396999999995</scalar>
               </property>
            </molecule>
         </module>
      </module>
   </module>
</module>
