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                  <bond atomRefs2="a108 a118" order="S"/>
                  <bond atomRefs2="a108 a170" order="S"/>
                  <bond atomRefs2="a108 a149" order="S"/>
                  <bond atomRefs2="a109 a110" order="S"/>
                  <bond atomRefs2="a109 a113" order="S"/>
                  <bond atomRefs2="a109 a118" order="S"/>
                  <bond atomRefs2="a109 a111" order="S"/>
                  <bond atomRefs2="a109 a116" order="S"/>
                  <bond atomRefs2="a110 a128" order="S"/>
                  <bond atomRefs2="a110 a126" order="S"/>
                  <bond atomRefs2="a110 a124" order="S"/>
                  <bond atomRefs2="a110 a111" order="S"/>
                  <bond atomRefs2="a111 a145" order="S"/>
                  <bond atomRefs2="a111 a116" order="S"/>
                  <bond atomRefs2="a111 a119" order="S"/>
                  <bond atomRefs2="a111 a118" order="S"/>
                  <bond atomRefs2="a111 a163" order="S"/>
                  <bond atomRefs2="a112 a120" order="S"/>
                  <bond atomRefs2="a112 a151" order="S"/>
                  <bond atomRefs2="a112 a152" order="S"/>
                  <bond atomRefs2="a112 a131" order="S"/>
                  <bond atomRefs2="a112 a130" order="S"/>
                  <bond atomRefs2="a112 a113" order="S"/>
                  <bond atomRefs2="a112 a114" order="S"/>
                  <bond atomRefs2="a113 a115" order="S"/>
                  <bond atomRefs2="a113 a118" order="S"/>
                  <bond atomRefs2="a113 a114" order="S"/>
                  <bond atomRefs2="a113 a151" order="S"/>
                  <bond atomRefs2="a113 a143" order="S"/>
                  <bond atomRefs2="a114 a171" order="S"/>
                  <bond atomRefs2="a114 a173" order="S"/>
                  <bond atomRefs2="a114 a115" order="S"/>
                  <bond atomRefs2="a114 a161" order="S"/>
                  <bond atomRefs2="a114 a133" order="S"/>
                  <bond atomRefs2="a114 a131" order="S"/>
                  <bond atomRefs2="a114 a159" order="S"/>
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                  <bond atomRefs2="a115 a118" order="S"/>
                  <bond atomRefs2="a115 a133" order="S"/>
                  <bond atomRefs2="a115 a117" order="S"/>
                  <bond atomRefs2="a115 a116" order="S"/>
                  <bond atomRefs2="a116 a119" order="S"/>
                  <bond atomRefs2="a116 a117" order="S"/>
                  <bond atomRefs2="a116 a118" order="S"/>
                  <bond atomRefs2="a117 a132" order="S"/>
                  <bond atomRefs2="a117 a173" order="S"/>
                  <bond atomRefs2="a117 a145" order="S"/>
                  <bond atomRefs2="a117 a160" order="S"/>
                  <bond atomRefs2="a117 a119" order="S"/>
                  <bond atomRefs2="a117 a133" order="S"/>
                  <bond atomRefs2="a117 a118" order="S"/>
                  <bond atomRefs2="a118 a145" order="S"/>
                  <bond atomRefs2="a120 a147" order="S"/>
                  <bond atomRefs2="a120 a150" order="S"/>
                  <bond atomRefs2="a120 a153" order="S"/>
                  <bond atomRefs2="a120 a151" order="S"/>
                  <bond atomRefs2="a120 a152" order="S"/>
                  <bond atomRefs2="a120 a146" order="S"/>
                  <bond atomRefs2="a121 a155" order="S"/>
                  <bond atomRefs2="a121 a135" order="S"/>
                  <bond atomRefs2="a121 a157" order="S"/>
                  <bond atomRefs2="a121 a156" order="S"/>
                  <bond atomRefs2="a121 a149" order="S"/>
                  <bond atomRefs2="a121 a144" order="S"/>
                  <bond atomRefs2="a121 a137" order="S"/>
                  <bond atomRefs2="a121 a123" order="S"/>
                  <bond atomRefs2="a121 a122" order="S"/>
                  <bond atomRefs2="a122 a123" order="S"/>
                  <bond atomRefs2="a122 a134" order="S"/>
                  <bond atomRefs2="a122 a135" order="S"/>
                  <bond atomRefs2="a122 a139" order="S"/>
                  <bond atomRefs2="a122 a157" order="S"/>
                  <bond atomRefs2="a123 a127" order="S"/>
                  <bond atomRefs2="a123 a167" order="S"/>
                  <bond atomRefs2="a123 a124" order="S"/>
                  <bond atomRefs2="a123 a165" order="S"/>
                  <bond atomRefs2="a123 a168" order="S"/>
                  <bond atomRefs2="a123 a149" order="S"/>
                  <bond atomRefs2="a123 a157" order="S"/>
                  <bond atomRefs2="a124 a127" order="S"/>
                  <bond atomRefs2="a124 a125" order="S"/>
                  <bond atomRefs2="a124 a126" order="S"/>
                  <bond atomRefs2="a124 a134" order="S"/>
                  <bond atomRefs2="a124 a139" order="S"/>
                  <bond atomRefs2="a125 a128" order="S"/>
                  <bond atomRefs2="a125 a126" order="S"/>
                  <bond atomRefs2="a125 a127" order="S"/>
                  <bond atomRefs2="a125 a134" order="S"/>
                  <bond atomRefs2="a126 a128" order="S"/>
                  <bond atomRefs2="a126 a168" order="S"/>
                  <bond atomRefs2="a126 a163" order="S"/>
                  <bond atomRefs2="a126 a127" order="S"/>
                  <bond atomRefs2="a127 a167" order="S"/>
                  <bond atomRefs2="a127 a168" order="S"/>
                  <bond atomRefs2="a127 a169" order="S"/>
                  <bond atomRefs2="a129 a132" order="S"/>
                  <bond atomRefs2="a130 a159" order="S"/>
                  <bond atomRefs2="a130 a152" order="S"/>
                  <bond atomRefs2="a130 a153" order="S"/>
                  <bond atomRefs2="a130 a158" order="S"/>
                  <bond atomRefs2="a131 a159" order="S"/>
                  <bond atomRefs2="a131 a133" order="S"/>
                  <bond atomRefs2="a132 a133" order="S"/>
                  <bond atomRefs2="a133 a173" order="S"/>
                  <bond atomRefs2="a133 a161" order="S"/>
                  <bond atomRefs2="a133 a160" order="S"/>
                  <bond atomRefs2="a134 a139" order="S"/>
                  <bond atomRefs2="a135 a155" order="S"/>
                  <bond atomRefs2="a135 a139" order="S"/>
                  <bond atomRefs2="a135 a136" order="S"/>
                  <bond atomRefs2="a135 a137" order="S"/>
                  <bond atomRefs2="a136 a138" order="S"/>
                  <bond atomRefs2="a136 a137" order="S"/>
                  <bond atomRefs2="a137 a140" order="S"/>
                  <bond atomRefs2="a137 a138" order="S"/>
                  <bond atomRefs2="a137 a154" order="S"/>
                  <bond atomRefs2="a137 a142" order="S"/>
                  <bond atomRefs2="a137 a144" order="S"/>
                  <bond atomRefs2="a138 a154" order="S"/>
                  <bond atomRefs2="a138 a155" order="S"/>
                  <bond atomRefs2="a139 a144" order="S"/>
                  <bond atomRefs2="a140 a142" order="S"/>
                  <bond atomRefs2="a140 a141" order="S"/>
                  <bond atomRefs2="a140 a144" order="S"/>
                  <bond atomRefs2="a141 a142" order="S"/>
                  <bond atomRefs2="a141 a146" order="S"/>
                  <bond atomRefs2="a141 a144" order="S"/>
                  <bond atomRefs2="a142 a146" order="S"/>
                  <bond atomRefs2="a142 a154" order="S"/>
                  <bond atomRefs2="a143 a144" order="S"/>
                  <bond atomRefs2="a145 a173" order="S"/>
                  <bond atomRefs2="a145 a164" order="S"/>
                  <bond atomRefs2="a145 a175" order="S"/>
                  <bond atomRefs2="a145 a174" order="S"/>
                  <bond atomRefs2="a145 a162" order="S"/>
                  <bond atomRefs2="a146 a147" order="S"/>
                  <bond atomRefs2="a146 a148" order="S"/>
                  <bond atomRefs2="a146 a150" order="S"/>
                  <bond atomRefs2="a147 a149" order="S"/>
                  <bond atomRefs2="a147 a151" order="S"/>
                  <bond atomRefs2="a147 a150" order="S"/>
                  <bond atomRefs2="a147 a170" order="S"/>
                  <bond atomRefs2="a148 a154" order="S"/>
                  <bond atomRefs2="a149 a156" order="S"/>
                  <bond atomRefs2="a149 a166" order="S"/>
                  <bond atomRefs2="a149 a165" order="S"/>
                  <bond atomRefs2="a149 a170" order="S"/>
                  <bond atomRefs2="a150 a153" order="S"/>
                  <bond atomRefs2="a150 a152" order="S"/>
                  <bond atomRefs2="a151 a171" order="S"/>
                  <bond atomRefs2="a151 a152" order="S"/>
                  <bond atomRefs2="a151 a170" order="S"/>
                  <bond atomRefs2="a152 a171" order="S"/>
                  <bond atomRefs2="a152 a159" order="S"/>
                  <bond atomRefs2="a152 a153" order="S"/>
                  <bond atomRefs2="a152 a158" order="S"/>
                  <bond atomRefs2="a153 a158" order="S"/>
                  <bond atomRefs2="a154 a155" order="S"/>
                  <bond atomRefs2="a154 a156" order="S"/>
                  <bond atomRefs2="a155 a157" order="S"/>
                  <bond atomRefs2="a156 a166" order="S"/>
                  <bond atomRefs2="a157 a167" order="S"/>
                  <bond atomRefs2="a159 a171" order="S"/>
                  <bond atomRefs2="a159 a161" order="S"/>
                  <bond atomRefs2="a160 a173" order="S"/>
                  <bond atomRefs2="a160 a174" order="S"/>
                  <bond atomRefs2="a161 a171" order="S"/>
                  <bond atomRefs2="a161 a173" order="S"/>
                  <bond atomRefs2="a162 a165" order="S"/>
                  <bond atomRefs2="a162 a176" order="S"/>
                  <bond atomRefs2="a162 a163" order="S"/>
                  <bond atomRefs2="a162 a164" order="S"/>
                  <bond atomRefs2="a162 a172" order="S"/>
                  <bond atomRefs2="a163 a168" order="S"/>
                  <bond atomRefs2="a163 a176" order="S"/>
                  <bond atomRefs2="a163 a164" order="S"/>
                  <bond atomRefs2="a164 a175" order="S"/>
                  <bond atomRefs2="a165 a166" order="S"/>
                  <bond atomRefs2="a165 a168" order="S"/>
                  <bond atomRefs2="a165 a176" order="S"/>
                  <bond atomRefs2="a166 a167" order="S"/>
                  <bond atomRefs2="a167 a168" order="S"/>
                  <bond atomRefs2="a168 a169" order="S"/>
                  <bond atomRefs2="a168 a176" order="S"/>
                  <bond atomRefs2="a170 a172" order="S"/>
                  <bond atomRefs2="a171 a172" order="S"/>
                  <bond atomRefs2="a172 a173" order="S"/>
                  <bond atomRefs2="a172 a175" order="S"/>
                  <bond atomRefs2="a173 a175" order="S"/>
                  <bond atomRefs2="a174 a175" order="S"/>
               </bondArray>
               <formula concise="Cu175O">
                  <atomArray count="175 1" elementType="Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">11136.549400000025</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">1931.0000</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="2">PAW_PBE Cu 22Jun2005|PAW_PBE O 08Apr2002</array>
                  <array dictRef="cc:atomType" size="2">Cu O</array>
                  <array dataType="xsd:double" dictRef="cc:mass" size="2">63.55 16.00</array>
                  <array dataType="xsd:double" dictRef="cc:valence" size="2">11.00 6.00</array>
                  <array dataType="xsd:integer" dictRef="cc:atomcount" size="2">175 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="13.935073"
                        xFract="0.95827051"
                        y3="0.688838"
                        yFract="0.04736919"
                        z3="1.65067"
                        zFract="0.07503045"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="13.885301"
                        xFract="0.95484785"
                        y3="11.1116"
                        yFract="0.76410928"
                        z3="1.36905"
                        zFract="0.06222955"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="0.255077"
                        xFract="0.01754083"
                        y3="2.88382"
                        yFract="0.1983111"
                        z3="2.70395"
                        zFract="0.12290682"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="0.0226956"
                        xFract="0.0015607"
                        y3="7.45803"
                        yFract="0.51286493"
                        z3="2.39421"
                        zFract="0.10882773"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="11.4547"
                        xFract="0.78770317"
                        y3="0.301974"
                        yFract="0.02076579"
                        z3="1.77701"
                        zFract="0.08077318"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="11.4555"
                        xFract="0.78775819"
                        y3="11.5242"
                        yFract="0.79248247"
                        z3="1.69122"
                        zFract="0.07687364"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="10.9317"
                        xFract="0.75173813"
                        y3="4.31212"
                        yFract="0.29653074"
                        z3="1.2377"
                        zFract="0.05625909"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="11.3107"
                        xFract="0.77780075"
                        y3="6.91696"
                        yFract="0.47565727"
                        z3="1.20935"
                        zFract="0.05497045"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="13.1808"
                        xFract="0.90640156"
                        y3="13.0928"
                        yFract="0.90035008"
                        z3="2.57613"
                        zFract="0.11709682"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="12.4856"
                        xFract="0.85859488"
                        y3="2.62738"
                        yFract="0.18067654"
                        z3="1.85024"
                        zFract="0.08410182"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="13.1925"
                        xFract="0.90720614"
                        y3="5.31185"
                        yFract="0.36527898"
                        z3="2.12151"
                        zFract="0.09643227"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="12.3990"
                        xFract="0.85263967"
                        y3="9.10052"
                        yFract="0.62581373"
                        z3="1.39606"
                        zFract="0.06345727"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="1.0091"
                        xFract="0.06939259"
                        y3="13.0851"
                        yFract="0.89982058"
                        z3="1.67094"
                        zFract="0.07595182"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="1.83183"
                        xFract="0.1259691"
                        y3="0.9525"
                        yFract="0.06550039"
                        z3="1.86881"
                        zFract="0.08494591"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="3.40703"
                        xFract="0.23429058"
                        y3="5.3300"
                        yFract="0.3665271"
                        z3="0.846564"
                        zFract="0.03848018"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="1.16502"
                        xFract="0.08011471"
                        y3="9.58487"
                        yFract="0.65912093"
                        z3="1.86851"
                        zFract="0.08493227"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="3.39816"
                        xFract="0.23368062"
                        y3="13.692267"
                        yFract="0.94157352"
                        z3="1.28163"
                        zFract="0.05825591"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="2.99718"
                        xFract="0.20610651"
                        y3="11.4074"
                        yFract="0.7844505"
                        z3="2.18317"
                        zFract="0.099235"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="3.81466"
                        xFract="0.262322"
                        y3="1.66034"
                        yFract="0.11417628"
                        z3="0.616358"
                        zFract="0.02801627"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="3.50103"
                        xFract="0.24075466"
                        y3="9.37276"
                        yFract="0.6445348"
                        z3="0.948844"
                        zFract="0.04312927"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="5.42761"
                        xFract="0.37323942"
                        y3="11.6523"
                        yFract="0.8012915"
                        z3="1.24028"
                        zFract="0.05637636"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="6.16984"
                        xFract="0.42428021"
                        y3="2.12469"
                        yFract="0.14610815"
                        z3="21.9176709"
                        zFract="0.99625777"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="5.9409"
                        xFract="0.40853674"
                        y3="5.40317"
                        yFract="0.37155876"
                        z3="0.233083"
                        zFract="0.01059468"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="5.91912"
                        xFract="0.407039"
                        y3="9.4191"
                        yFract="0.64772146"
                        z3="0.256938"
                        zFract="0.011679"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="7.9954"
                        xFract="0.54981815"
                        y3="0.466668"
                        yFract="0.03209127"
                        z3="0.503193"
                        zFract="0.02287241"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="7.88777"
                        xFract="0.54241678"
                        y3="11.4568"
                        yFract="0.78784758"
                        z3="0.485102"
                        zFract="0.02205009"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="7.83784"
                        xFract="0.53898325"
                        y3="3.74448"
                        yFract="0.25749594"
                        z3="0.645426"
                        zFract="0.02933755"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="7.36531"
                        xFract="0.50648887"
                        y3="7.40507"
                        yFract="0.50922304"
                        z3="0.874692"
                        zFract="0.03975873"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="9.65064"
                        xFract="0.66364372"
                        y3="13.2132"
                        yFract="0.90862961"
                        z3="1.08899"
                        zFract="0.04949955"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="9.77529"
                        xFract="0.67221551"
                        y3="2.12295"
                        yFract="0.1459885"
                        z3="1.1776"
                        zFract="0.05352727"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="9.03098"
                        xFract="0.62103168"
                        y3="5.73759"
                        yFract="0.39455576"
                        z3="1.38094"
                        zFract="0.06277"/>
                  <atom elementType="Cu"
                        id="a32"
                        x3="9.88684"
                        xFract="0.67988644"
                        y3="9.71775"
                        yFract="0.66825866"
                        z3="0.972919"
                        zFract="0.04422359"/>
                  <atom elementType="Cu"
                        id="a33"
                        x3="14.033724"
                        xFract="0.96505443"
                        y3="12.8470"
                        yFract="0.8834472"
                        z3="5.31984"
                        zFract="0.24181091"/>
                  <atom elementType="Cu"
                        id="a34"
                        x3="14.275333"
                        xFract="0.98166911"
                        y3="1.97415"
                        yFract="0.135756"
                        z3="5.00629"
                        zFract="0.22755864"/>
                  <atom elementType="Cu"
                        id="a35"
                        x3="1.19926"
                        xFract="0.08246928"
                        y3="5.24147"
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                  <bond atomRefs2="a161 a171" order="S"/>
                  <bond atomRefs2="a161 a173" order="S"/>
                  <bond atomRefs2="a162 a165" order="S"/>
                  <bond atomRefs2="a162 a176" order="S"/>
                  <bond atomRefs2="a162 a163" order="S"/>
                  <bond atomRefs2="a162 a164" order="S"/>
                  <bond atomRefs2="a162 a172" order="S"/>
                  <bond atomRefs2="a163 a168" order="S"/>
                  <bond atomRefs2="a163 a176" order="S"/>
                  <bond atomRefs2="a163 a164" order="S"/>
                  <bond atomRefs2="a164 a175" order="S"/>
                  <bond atomRefs2="a165 a166" order="S"/>
                  <bond atomRefs2="a165 a168" order="S"/>
                  <bond atomRefs2="a165 a176" order="S"/>
                  <bond atomRefs2="a165 a170" order="S"/>
                  <bond atomRefs2="a166 a167" order="S"/>
                  <bond atomRefs2="a167 a168" order="S"/>
                  <bond atomRefs2="a168 a169" order="S"/>
                  <bond atomRefs2="a168 a176" order="S"/>
                  <bond atomRefs2="a170 a172" order="S"/>
                  <bond atomRefs2="a171 a172" order="S"/>
                  <bond atomRefs2="a172 a173" order="S"/>
                  <bond atomRefs2="a172 a175" order="S"/>
                  <bond atomRefs2="a173 a175" order="S"/>
                  <bond atomRefs2="a174 a175" order="S"/>
               </bondArray>
               <formula concise="Cu175O">
                  <atomArray count="175 1" elementType="Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">11136.549400000025</scalar>
               </property>
            </molecule>
         </module>
      </module>
   </module>
</module>
