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                  <bond atomRefs2="a140 a148" order="S"/>
                  <bond atomRefs2="a140 a144" order="S"/>
                  <bond atomRefs2="a140 a152" order="S"/>
                  <bond atomRefs2="a140 a146" order="S"/>
                  <bond atomRefs2="a141 a150" order="S"/>
                  <bond atomRefs2="a141 a142" order="S"/>
                  <bond atomRefs2="a141 a144" order="S"/>
                  <bond atomRefs2="a141 a143" order="S"/>
                  <bond atomRefs2="a141 a152" order="S"/>
                  <bond atomRefs2="a141 a146" order="S"/>
                  <bond atomRefs2="a142 a143" order="S"/>
                  <bond atomRefs2="a142 a144" order="S"/>
                  <bond atomRefs2="a142 a145" order="S"/>
                  <bond atomRefs2="a143 a150" order="S"/>
                  <bond atomRefs2="a143 a144" order="S"/>
                  <bond atomRefs2="a143 a145" order="S"/>
                  <bond atomRefs2="a143 a152" order="S"/>
                  <bond atomRefs2="a145 a150" order="S"/>
                  <bond atomRefs2="a146 a147" order="S"/>
                  <bond atomRefs2="a146 a152" order="S"/>
                  <bond atomRefs2="a146 a149" order="S"/>
                  <bond atomRefs2="a146 a148" order="S"/>
                  <bond atomRefs2="a147 a149" order="S"/>
                  <bond atomRefs2="a147 a153" order="S"/>
                  <bond atomRefs2="a147 a157" order="S"/>
                  <bond atomRefs2="a147 a148" order="S"/>
                  <bond atomRefs2="a147 a154" order="S"/>
                  <bond atomRefs2="a149 a150" order="S"/>
                  <bond atomRefs2="a149 a151" order="S"/>
                  <bond atomRefs2="a149 a153" order="S"/>
                  <bond atomRefs2="a149 a156" order="S"/>
                  <bond atomRefs2="a150 a152" order="S"/>
                  <bond atomRefs2="a150 a151" order="S"/>
                  <bond atomRefs2="a151 a152" order="S"/>
                  <bond atomRefs2="a151 a157" order="S"/>
                  <bond atomRefs2="a151 a156" order="S"/>
                  <bond atomRefs2="a153 a155" order="S"/>
                  <bond atomRefs2="a153 a157" order="S"/>
                  <bond atomRefs2="a153 a154" order="S"/>
                  <bond atomRefs2="a155 a157" order="S"/>
                  <bond atomRefs2="a155 a156" order="S"/>
                  <bond atomRefs2="a156 a157" order="S"/>
                  <bond atomRefs2="a158 a159" order="S"/>
               </bondArray>
               <formula concise="CCu157O">
                  <atomArray count="1 157 1" elementType="C Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">10004.732100000021</scalar>
               </property>
            </molecule>
            <parameterList>
               <parameter dictRef="v:nwrite">
                  <scalar dataType="xsd:integer">0</scalar>
               </parameter>
               <parameter dictRef="v:ispin">
                  <scalar dataType="xsd:integer">2</scalar>
               </parameter>
               <parameter dictRef="v:energyCutoff">
                  <scalar dataType="xsd:integer" units="nonsi:electronvolt">450</scalar>
               </parameter>
               <parameter dictRef="v:ediff">
                  <scalar dataType="xsd:double">0.1E-04</scalar>
               </parameter>
               <parameter dictRef="v:ediffg">
                  <scalar dataType="xsd:double">-.3E-01</scalar>
               </parameter>
               <parameter dictRef="v:ibrion">
                  <scalar dataType="xsd:integer">2</scalar>
               </parameter>
               <parameter dictRef="v:potim">
                  <scalar dataType="xsd:double">0.1500</scalar>
               </parameter>
               <parameter dictRef="cc:temp">
                  <scalar dataType="xsd:double" units="si:k">0.0</scalar>
               </parameter>
               <parameter dictRef="v:nelect">
                  <scalar dataType="xsd:double">1737.0000</scalar>
               </parameter>
               <parameter dictRef="v:nupdown">
                  <scalar dataType="xsd:double">-1.0000</scalar>
               </parameter>
               <parameter dictRef="v:ismear">
                  <scalar dataType="xsd:integer">0</scalar>
               </parameter>
               <parameter dictRef="v:sigma">
                  <scalar dataType="xsd:double">0.03</scalar>
               </parameter>
               <parameter dictRef="v:ldipol">
                  <scalar dataType="xsd:string">T</scalar>
               </parameter>
               <parameter dictRef="v:idipol">
                  <scalar dataType="xsd:integer">3</scalar>
               </parameter>
               <parameter dictRef="v:gga">
                  <scalar dataType="xsd:string">PE</scalar>
               </parameter>
               <parameter dictRef="v:lexch">
                  <scalar dataType="xsd:string">8</scalar>
               </parameter>
               <parameter dictRef="v:voskown">
                  <scalar dataType="xsd:string">0</scalar>
               </parameter>
               <parameter dictRef="v:lhfcalc">
                  <scalar dataType="xsd:boolean">false</scalar>
               </parameter>
               <parameter dictRef="v:lhfone">
                  <scalar dataType="xsd:string">F</scalar>
               </parameter>
               <parameter dictRef="v:aexx">
                  <scalar dataType="xsd:double">0.0000</scalar>
               </parameter>
               <parameter dictRef="v:vdwversion">
                  <scalar dataType="xsd:integer">2</scalar>
               </parameter>
            </parameterList>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="potcar" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:string"
                         delimiter="|"
                         dictRef="v:pseudopotential"
                         size="3">PAW_PBE Cu 22Jun2005|PAW_PBE C 08Apr2002|PAW_PBE O 08Apr2002</array>
                  <array dictRef="cc:atomType" size="3">Cu C O</array>
                  <array dataType="xsd:double" dictRef="cc:mass" size="3">63.55 12.01 16.00</array>
                  <array dataType="xsd:double" dictRef="cc:valence" size="3">11.00 4.00 6.00</array>
                  <array dataType="xsd:integer" dictRef="cc:atomcount" size="3">157 1 1</array>
               </module>
            </module>
         </module>
         <module dictRef="cc:calculation" id="calculation"/>
         <module dictRef="cc:finalization" id="finalization">
            <propertyList/>
            <molecule id="final">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">14.541899</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">14.541899</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">22.0</scalar>
                  <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
               </crystal>
               <atomArray>
                  <atom elementType="Cu"
                        id="a1"
                        x3="13.911386"
                        xFract="0.95664163"
                        y3="14.074576"
                        yFract="0.96786369"
                        z3="3.68405"
                        zFract="0.16745682"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="0.0712885"
                        xFract="0.00490228"
                        y3="11.6065"
                        yFract="0.79814198"
                        z3="3.32476"
                        zFract="0.15112545"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="14.4510208"
                        xFract="0.9937506"
                        y3="3.57169"
                        yFract="0.24561373"
                        z3="1.62082"
                        zFract="0.07367364"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="0.569063"
                        xFract="0.03913265"
                        y3="7.86689"
                        yFract="0.54098093"
                        z3="0.960802"
                        zFract="0.04367282"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="11.5803"
                        xFract="0.79634029"
                        y3="14.405342"
                        yFract="0.99060941"
                        z3="2.57763"
                        zFract="0.117165"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="10.7483"
                        xFract="0.7391263"
                        y3="10.3701"
                        yFract="0.71311869"
                        z3="1.87166"
                        zFract="0.08507545"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="11.9820"
                        xFract="0.82396391"
                        y3="3.77045"
                        yFract="0.25928182"
                        z3="1.67385"
                        zFract="0.07608409"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="11.6433"
                        xFract="0.80067259"
                        y3="8.06274"
                        yFract="0.55444891"
                        z3="1.1744"
                        zFract="0.05338182"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="12.4970"
                        xFract="0.85937882"
                        y3="12.1280"
                        yFract="0.83400387"
                        z3="2.10927"
                        zFract="0.09587591"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="13.1463"
                        xFract="0.90402911"
                        y3="1.72516"
                        yFract="0.11863375"
                        z3="2.5514"
                        zFract="0.11597273"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="13.2262"
                        xFract="0.90952358"
                        y3="5.92009"
                        yFract="0.4071057"
                        z3="1.0442"
                        zFract="0.04746364"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="13.5938"
                        xFract="0.93480226"
                        y3="9.87728"
                        yFract="0.67922903"
                        z3="1.50729"
                        zFract="0.06851318"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="2.13309"
                        xFract="0.14668579"
                        y3="11.2778"
                        yFract="0.77553833"
                        z3="1.76436"
                        zFract="0.08019818"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="1.06542"
                        xFract="0.07326553"
                        y3="1.39581"
                        yFract="0.0959854"
                        z3="3.12214"
                        zFract="0.14191545"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="0.795081"
                        xFract="0.05467518"
                        y3="5.73657"
                        yFract="0.39448562"
                        z3="2.20279"
                        zFract="0.10012682"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="2.73992"
                        xFract="0.18841556"
                        y3="9.17669"
                        yFract="0.63105169"
                        z3="0.794463"
                        zFract="0.03611195"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="4.14905"
                        xFract="0.28531693"
                        y3="12.999919"
                        yFract="0.89396295"
                        z3="1.92304"
                        zFract="0.08741091"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="4.69988"
                        xFract="0.32319575"
                        y3="10.7977"
                        yFract="0.74252338"
                        z3="0.976466"
                        zFract="0.04438482"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="3.90708"
                        xFract="0.26867743"
                        y3="2.65089"
                        yFract="0.18229325"
                        z3="1.08341"
                        zFract="0.04924591"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="3.02055"
                        xFract="0.20771359"
                        y3="6.85891"
                        yFract="0.47166536"
                        z3="0.255413"
                        zFract="0.01160968"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="6.65771"
                        xFract="0.45782948"
                        y3="12.5568"
                        yFract="0.86349107"
                        z3="1.2654"
                        zFract="0.05751818"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="6.04052"
                        xFract="0.41538729"
                        y3="0.309981"
                        yFract="0.0213164"
                        z3="2.08195"
                        zFract="0.09463409"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="5.53243"
                        xFract="0.38044756"
                        y3="4.6129"
                        yFract="0.31721442"
                        z3="1.2095"
                        zFract="0.05497727"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="5.1541"
                        xFract="0.35443101"
                        y3="8.48538"
                        yFract="0.58351251"
                        z3="0.264465"
                        zFract="0.01202114"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="8.55482"
                        xFract="0.58828768"
                        y3="14.323056"
                        yFract="0.98495087"
                        z3="1.52476"
                        zFract="0.06930727"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="7.12808"
                        xFract="0.49017532"
                        y3="10.2045"
                        yFract="0.70173091"
                        z3="0.468145"
                        zFract="0.02127932"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="7.96479"
                        xFract="0.5477132"
                        y3="4.37841"
                        yFract="0.30108929"
                        z3="0.706638"
                        zFract="0.03211991"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="7.2037"
                        xFract="0.49537547"
                        y3="6.69278"
                        yFract="0.46024113"
                        z3="1.33327"
                        zFract="0.06060318"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="9.97613"
                        xFract="0.68602663"
                        y3="12.6363"
                        yFract="0.86895804"
                        z3="2.83907"
                        zFract="0.12904864"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="10.2985"
                        xFract="0.70819499"
                        y3="1.78883"
                        yFract="0.12301213"
                        z3="1.66443"
                        zFract="0.07565591"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="9.72376"
                        xFract="0.66867195"
                        y3="6.25181"
                        yFract="0.42991703"
                        z3="0.898338"
                        zFract="0.04083355"/>
                  <atom elementType="Cu"
                        id="a32"
                        x3="9.02522"
                        xFract="0.62063559"
                        y3="11.9228"
                        yFract="0.81989292"
                        z3="0.686953"
                        zFract="0.03122514"/>
                  <atom elementType="Cu"
                        id="a33"
                        x3="13.398689"
                        xFract="0.9213851"
                        y3="10.8121"
                        yFract="0.74351362"
                        z3="6.04711"
                        zFract="0.27486864"/>
                  <atom elementType="Cu"
                        id="a34"
                        x3="13.687974"
                        xFract="0.9412783"
                        y3="2.11328"
                        yFract="0.14532352"
                        z3="4.90641"
                        zFract="0.22301864"/>
                  <atom elementType="Cu"
                        id="a35"
                        x3="0.131757"
                        xFract="0.00906051"
                        y3="6.20852"
                        yFract="0.42694011"
                        z3="4.53935"
                        zFract="0.20633409"/>
                  <atom elementType="Cu"
                        id="a36"
                        x3="1.00557"
                        xFract="0.06914984"
                        y3="9.35709"
                        yFract="0.64345723"
                        z3="3.03779"
                        zFract="0.13808136"/>
                  <atom elementType="Cu"
                        id="a37"
                        x3="9.65331"
                        xFract="0.66382733"
                        y3="13.1217"
                        yFract="0.90233745"
                        z3="5.29963"
                        zFract="0.24089227"/>
                  <atom elementType="Cu"
                        id="a38"
                        x3="11.1721"
                        xFract="0.76826967"
                        y3="2.52743"
                        yFract="0.1738033"
                        z3="3.84153"
                        zFract="0.174615"/>
                  <atom elementType="Cu"
                        id="a39"
                        x3="11.4188"
                        xFract="0.78523445"
                        y3="6.03072"
                        yFract="0.41471337"
                        z3="2.6481"
                        zFract="0.12036818"/>
                  <atom elementType="Cu"
                        id="a40"
                        x3="10.7586"
                        xFract="0.7398346"
                        y3="8.33365"
                        yFract="0.57307852"
                        z3="3.46062"
                        zFract="0.15730091"/>
                  <atom elementType="Cu"
                        id="a41"
                        x3="11.8494"
                        xFract="0.81484543"
                        y3="0.201635"
                        yFract="0.0138658"
                        z3="4.97798"
                        zFract="0.22627182"/>
                  <atom elementType="Cu"
                        id="a42"
                        x3="12.6112"
                        xFract="0.86723199"
                        y3="10.0333"
                        yFract="0.68995803"
                        z3="3.69571"
                        zFract="0.16798682"/>
                  <atom elementType="Cu"
                        id="a43"
                        x3="12.8958"
                        xFract="0.88680302"
                        y3="4.42143"
                        yFract="0.30404763"
                        z3="3.95795"
                        zFract="0.17990682"/>
                  <atom elementType="Cu"
                        id="a44"
                        x3="13.4760"
                        xFract="0.92670153"
                        y3="7.68038"
                        yFract="0.52815523"
                        z3="2.84116"
                        zFract="0.12914364"/>
                  <atom elementType="Cu"
                        id="a45"
                        x3="1.66739"
                        xFract="0.11466109"
                        y3="13.515919"
                        yFract="0.92944663"
                        z3="2.72762"
                        zFract="0.12398273"/>
                  <atom elementType="Cu"
                        id="a46"
                        x3="1.20048"
                        xFract="0.08255318"
                        y3="10.3231"
                        yFract="0.70988665"
                        z3="5.4589"
                        zFract="0.24813182"/>
                  <atom elementType="Cu"
                        id="a47"
                        x3="3.04586"
                        xFract="0.20945407"
                        y3="3.09226"
                        yFract="0.21264485"
                        z3="3.31733"
                        zFract="0.15078773"/>
                  <atom elementType="Cu"
                        id="a48"
                        x3="2.47976"
                        xFract="0.17052518"
                        y3="7.44866"
                        yFract="0.51222058"
                        z3="2.56748"
                        zFract="0.11670364"/>
                  <atom elementType="Cu"
                        id="a49"
                        x3="5.0947"
                        xFract="0.35034626"
                        y3="13.6903"
                        yFract="0.94143825"
                        z3="4.14024"
                        zFract="0.18819273"/>
                  <atom elementType="Cu"
                        id="a50"
                        x3="3.56143"
                        xFract="0.24490818"
                        y3="0.736951"
                        yFract="0.05067777"
                        z3="2.72323"
                        zFract="0.12378318"/>
                  <atom elementType="Cu"
                        id="a51"
                        x3="3.10085"
                        xFract="0.21323556"
                        y3="4.94114"
                        yFract="0.33978643"
                        z3="1.73355"
                        zFract="0.07879773"/>
                  <atom elementType="Cu"
                        id="a52"
                        x3="3.91057"
                        xFract="0.26891742"
                        y3="9.49966"
                        yFract="0.65326131"
                        z3="2.96445"
                        zFract="0.13474773"/>
                  <atom elementType="Cu"
                        id="a53"
                        x3="6.90318"
                        xFract="0.47470966"
                        y3="1.07151"
                        yFract="0.07368432"
                        z3="4.34394"
                        zFract="0.19745182"/>
                  <atom elementType="Cu"
                        id="a54"
                        x3="5.74211"
                        xFract="0.39486659"
                        y3="11.3231"
                        yFract="0.77865346"
                        z3="3.18194"
                        zFract="0.14463364"/>
                  <atom elementType="Cu"
                        id="a55"
                        x3="5.50512"
                        xFract="0.37856954"
                        y3="2.63794"
                        yFract="0.18140272"
                        z3="2.86752"
                        zFract="0.13034182"/>
                  <atom elementType="Cu"
                        id="a56"
                        x3="4.82062"
                        xFract="0.33149866"
                        y3="6.90009"
                        yFract="0.47449718"
                        z3="2.02157"
                        zFract="0.09188955"/>
                  <atom elementType="Cu"
                        id="a57"
                        x3="7.5613"
                        xFract="0.51996648"
                        y3="13.2433"
                        yFract="0.91069949"
                        z3="3.59611"
                        zFract="0.16345955"/>
                  <atom elementType="Cu"
                        id="a58"
                        x3="7.8739"
                        xFract="0.54146298"
                        y3="2.19919"
                        yFract="0.15123128"
                        z3="2.16234"
                        zFract="0.09828818"/>
                  <atom elementType="Cu"
                        id="a59"
                        x3="7.26305"
                        xFract="0.49945678"
                        y3="4.60268"
                        yFract="0.31651162"
                        z3="3.03596"
                        zFract="0.13799818"/>
                  <atom elementType="Cu"
                        id="a60"
                        x3="6.41721"
                        xFract="0.44129106"
                        y3="8.89754"
                        yFract="0.61185544"
                        z3="2.35317"
                        zFract="0.10696227"/>
                  <atom elementType="Cu"
                        id="a61"
                        x3="9.3577"
                        xFract="0.64349917"
                        y3="0.574911"
                        yFract="0.0395348"
                        z3="3.70208"
                        zFract="0.16827636"/>
                  <atom elementType="Cu"
                        id="a62"
                        x3="8.18708"
                        xFract="0.56299937"
                        y3="10.8285"
                        yFract="0.7446414"
                        z3="2.64395"
                        zFract="0.12017955"/>
                  <atom elementType="Cu"
                        id="a63"
                        x3="9.67213"
                        xFract="0.66512152"
                        y3="4.12153"
                        yFract="0.28342447"
                        z3="2.39492"
                        zFract="0.10886"/>
                  <atom elementType="Cu"
                        id="a64"
                        x3="8.94621"
                        xFract="0.61520232"
                        y3="8.59382"
                        yFract="0.59096958"
                        z3="1.59424"
                        zFract="0.07246545"/>
                  <atom elementType="Cu"
                        id="a65"
                        x3="0.345989"
                        xFract="0.02379256"
                        y3="0.396873"
                        yFract="0.02729169"
                        z3="6.19586"
                        zFract="0.28163"/>
                  <atom elementType="Cu"
                        id="a66"
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                  <bond atomRefs2="a138 a142" order="S"/>
                  <bond atomRefs2="a138 a139" order="S"/>
                  <bond atomRefs2="a139 a142" order="S"/>
                  <bond atomRefs2="a139 a143" order="S"/>
                  <bond atomRefs2="a139 a145" order="S"/>
                  <bond atomRefs2="a140 a148" order="S"/>
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                  <bond atomRefs2="a140 a152" order="S"/>
                  <bond atomRefs2="a140 a146" order="S"/>
                  <bond atomRefs2="a141 a150" order="S"/>
                  <bond atomRefs2="a141 a142" order="S"/>
                  <bond atomRefs2="a141 a143" order="S"/>
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                  <bond atomRefs2="a141 a152" order="S"/>
                  <bond atomRefs2="a141 a146" order="S"/>
                  <bond atomRefs2="a142 a143" order="S"/>
                  <bond atomRefs2="a142 a144" order="S"/>
                  <bond atomRefs2="a142 a145" order="S"/>
                  <bond atomRefs2="a143 a150" order="S"/>
                  <bond atomRefs2="a143 a144" order="S"/>
                  <bond atomRefs2="a143 a145" order="S"/>
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                  <bond atomRefs2="a145 a150" order="S"/>
                  <bond atomRefs2="a146 a147" order="S"/>
                  <bond atomRefs2="a146 a152" order="S"/>
                  <bond atomRefs2="a146 a149" order="S"/>
                  <bond atomRefs2="a146 a148" order="S"/>
                  <bond atomRefs2="a147 a152" order="S"/>
                  <bond atomRefs2="a147 a149" order="S"/>
                  <bond atomRefs2="a147 a153" order="S"/>
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                  <bond atomRefs2="a149 a150" order="S"/>
                  <bond atomRefs2="a149 a151" order="S"/>
                  <bond atomRefs2="a149 a153" order="S"/>
                  <bond atomRefs2="a149 a156" order="S"/>
                  <bond atomRefs2="a150 a152" order="S"/>
                  <bond atomRefs2="a150 a151" order="S"/>
                  <bond atomRefs2="a151 a152" order="S"/>
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                  <bond atomRefs2="a151 a156" order="S"/>
                  <bond atomRefs2="a153 a155" order="S"/>
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                  <bond atomRefs2="a155 a157" order="S"/>
                  <bond atomRefs2="a155 a156" order="S"/>
                  <bond atomRefs2="a156 a157" order="S"/>
                  <bond atomRefs2="a158 a159" order="S"/>
               </bondArray>
               <formula concise="CCu157O">
                  <atomArray count="1 157 1" elementType="C Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">10004.732100000021</scalar>
               </property>
            </molecule>
         </module>
      </module>
   </module>
</module>
