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                  <bond atomRefs2="a110 a129" order="S"/>
                  <bond atomRefs2="a110 a111" order="S"/>
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                  <bond atomRefs2="a111 a129" order="S"/>
                  <bond atomRefs2="a111 a112" order="S"/>
                  <bond atomRefs2="a111 a113" order="S"/>
                  <bond atomRefs2="a112 a113" order="S"/>
                  <bond atomRefs2="a113 a139" order="S"/>
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                  <bond atomRefs2="a114 a123" order="S"/>
                  <bond atomRefs2="a114 a122" order="S"/>
                  <bond atomRefs2="a114 a120" order="S"/>
                  <bond atomRefs2="a114 a140" order="S"/>
                  <bond atomRefs2="a114 a162" order="S"/>
                  <bond atomRefs2="a114 a132" order="S"/>
                  <bond atomRefs2="a114 a159" order="S"/>
                  <bond atomRefs2="a114 a131" order="S"/>
                  <bond atomRefs2="a115 a121" order="S"/>
                  <bond atomRefs2="a115 a130" order="S"/>
                  <bond atomRefs2="a115 a153" order="S"/>
                  <bond atomRefs2="a115 a116" order="S"/>
                  <bond atomRefs2="a115 a152" order="S"/>
                  <bond atomRefs2="a115 a127" order="S"/>
                  <bond atomRefs2="a115 a158" order="S"/>
                  <bond atomRefs2="a115 a155" order="S"/>
                  <bond atomRefs2="a115 a135" order="S"/>
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                  <bond atomRefs2="a116 a117" order="S"/>
                  <bond atomRefs2="a116 a119" order="S"/>
                  <bond atomRefs2="a116 a118" order="S"/>
                  <bond atomRefs2="a117 a141" order="S"/>
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                  <bond atomRefs2="a117 a118" order="S"/>
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                  <bond atomRefs2="a118 a119" order="S"/>
                  <bond atomRefs2="a118 a130" order="S"/>
                  <bond atomRefs2="a119 a121" order="S"/>
                  <bond atomRefs2="a119 a156" order="S"/>
                  <bond atomRefs2="a119 a157" order="S"/>
                  <bond atomRefs2="a119 a125" order="S"/>
                  <bond atomRefs2="a119 a120" order="S"/>
                  <bond atomRefs2="a119 a124" order="S"/>
                  <bond atomRefs2="a120 a121" order="S"/>
                  <bond atomRefs2="a120 a136" order="S"/>
                  <bond atomRefs2="a120 a137" order="S"/>
                  <bond atomRefs2="a120 a124" order="S"/>
                  <bond atomRefs2="a120 a122" order="S"/>
                  <bond atomRefs2="a120 a156" order="S"/>
                  <bond atomRefs2="a120 a140" order="S"/>
                  <bond atomRefs2="a121 a136" order="S"/>
                  <bond atomRefs2="a121 a137" order="S"/>
                  <bond atomRefs2="a121 a156" order="S"/>
                  <bond atomRefs2="a121 a130" order="S"/>
                  <bond atomRefs2="a121 a153" order="S"/>
                  <bond atomRefs2="a121 a154" order="S"/>
                  <bond atomRefs2="a121 a135" order="S"/>
                  <bond atomRefs2="a122 a123" order="S"/>
                  <bond atomRefs2="a122 a124" order="S"/>
                  <bond atomRefs2="a123 a124" order="S"/>
                  <bond atomRefs2="a123 a140" order="S"/>
                  <bond atomRefs2="a123 a132" order="S"/>
                  <bond atomRefs2="a124 a137" order="S"/>
                  <bond atomRefs2="a124 a140" order="S"/>
                  <bond atomRefs2="a125 a157" order="S"/>
                  <bond atomRefs2="a126 a129" order="S"/>
                  <bond atomRefs2="a126 a127" order="S"/>
                  <bond atomRefs2="a126 a141" order="S"/>
                  <bond atomRefs2="a127 a130" order="S"/>
                  <bond atomRefs2="a127 a129" order="S"/>
                  <bond atomRefs2="a127 a158" order="S"/>
                  <bond atomRefs2="a127 a128" order="S"/>
                  <bond atomRefs2="a127 a141" order="S"/>
                  <bond atomRefs2="a128 a130" order="S"/>
                  <bond atomRefs2="a128 a166" order="S"/>
                  <bond atomRefs2="a128 a135" order="S"/>
                  <bond atomRefs2="a128 a129" order="S"/>
                  <bond atomRefs2="a128 a158" order="S"/>
                  <bond atomRefs2="a128 a139" order="S"/>
                  <bond atomRefs2="a129 a158" order="S"/>
                  <bond atomRefs2="a130 a135" order="S"/>
                  <bond atomRefs2="a130 a137" order="S"/>
                  <bond atomRefs2="a130 a139" order="S"/>
                  <bond atomRefs2="a131 a160" order="S"/>
                  <bond atomRefs2="a131 a140" order="S"/>
                  <bond atomRefs2="a131 a161" order="S"/>
                  <bond atomRefs2="a131 a138" order="S"/>
                  <bond atomRefs2="a131 a162" order="S"/>
                  <bond atomRefs2="a131 a134" order="S"/>
                  <bond atomRefs2="a131 a159" order="S"/>
                  <bond atomRefs2="a131 a136" order="S"/>
                  <bond atomRefs2="a132 a140" order="S"/>
                  <bond atomRefs2="a132 a162" order="S"/>
                  <bond atomRefs2="a132 a134" order="S"/>
                  <bond atomRefs2="a132 a133" order="S"/>
                  <bond atomRefs2="a133 a167" order="S"/>
                  <bond atomRefs2="a133 a162" order="S"/>
                  <bond atomRefs2="a133 a134" order="S"/>
                  <bond atomRefs2="a134 a160" order="S"/>
                  <bond atomRefs2="a134 a140" order="S"/>
                  <bond atomRefs2="a134 a162" order="S"/>
                  <bond atomRefs2="a134 a138" order="S"/>
                  <bond atomRefs2="a135 a164" order="S"/>
                  <bond atomRefs2="a135 a166" order="S"/>
                  <bond atomRefs2="a135 a154" order="S"/>
                  <bond atomRefs2="a135 a158" order="S"/>
                  <bond atomRefs2="a135 a155" order="S"/>
                  <bond atomRefs2="a135 a136" order="S"/>
                  <bond atomRefs2="a135 a139" order="S"/>
                  <bond atomRefs2="a135 a165" order="S"/>
                  <bond atomRefs2="a136 a163" order="S"/>
                  <bond atomRefs2="a136 a150" order="S"/>
                  <bond atomRefs2="a136 a137" order="S"/>
                  <bond atomRefs2="a136 a154" order="S"/>
                  <bond atomRefs2="a136 a161" order="S"/>
                  <bond atomRefs2="a136 a138" order="S"/>
                  <bond atomRefs2="a136 a139" order="S"/>
                  <bond atomRefs2="a136 a165" order="S"/>
                  <bond atomRefs2="a137 a140" order="S"/>
                  <bond atomRefs2="a137 a138" order="S"/>
                  <bond atomRefs2="a137 a139" order="S"/>
                  <bond atomRefs2="a138 a140" order="S"/>
                  <bond atomRefs2="a138 a161" order="S"/>
                  <bond atomRefs2="a138 a139" order="S"/>
                  <bond atomRefs2="a139 a165" order="S"/>
                  <bond atomRefs2="a141 a152" order="S"/>
                  <bond atomRefs2="a142 a160" order="S"/>
                  <bond atomRefs2="a142 a148" order="S"/>
                  <bond atomRefs2="a142 a167" order="S"/>
                  <bond atomRefs2="a143 a145" order="S"/>
                  <bond atomRefs2="a143 a144" order="S"/>
                  <bond atomRefs2="a143 a146" order="S"/>
                  <bond atomRefs2="a144 a145" order="S"/>
                  <bond atomRefs2="a144 a166" order="S"/>
                  <bond atomRefs2="a145 a165" order="S"/>
                  <bond atomRefs2="a145 a146" order="S"/>
                  <bond atomRefs2="a145 a147" order="S"/>
                  <bond atomRefs2="a145 a166" order="S"/>
                  <bond atomRefs2="a146 a147" order="S"/>
                  <bond atomRefs2="a147 a149" order="S"/>
                  <bond atomRefs2="a147 a165" order="S"/>
                  <bond atomRefs2="a147 a161" order="S"/>
                  <bond atomRefs2="a147 a148" order="S"/>
                  <bond atomRefs2="a148 a160" order="S"/>
                  <bond atomRefs2="a148 a161" order="S"/>
                  <bond atomRefs2="a148 a149" order="S"/>
                  <bond atomRefs2="a150 a163" order="S"/>
                  <bond atomRefs2="a150 a168" order="S"/>
                  <bond atomRefs2="a150 a151" order="S"/>
                  <bond atomRefs2="a150 a156" order="S"/>
                  <bond atomRefs2="a150 a154" order="S"/>
                  <bond atomRefs2="a150 a159" order="S"/>
                  <bond atomRefs2="a151 a168" order="S"/>
                  <bond atomRefs2="a151 a157" order="S"/>
                  <bond atomRefs2="a151 a156" order="S"/>
                  <bond atomRefs2="a151 a159" order="S"/>
                  <bond atomRefs2="a152 a158" order="S"/>
                  <bond atomRefs2="a153 a154" order="S"/>
                  <bond atomRefs2="a153 a155" order="S"/>
                  <bond atomRefs2="a154 a163" order="S"/>
                  <bond atomRefs2="a154 a155" order="S"/>
                  <bond atomRefs2="a154 a164" order="S"/>
                  <bond atomRefs2="a154 a156" order="S"/>
                  <bond atomRefs2="a155 a158" order="S"/>
                  <bond atomRefs2="a155 a164" order="S"/>
                  <bond atomRefs2="a156 a157" order="S"/>
                  <bond atomRefs2="a158 a166" order="S"/>
                  <bond atomRefs2="a159 a162" order="S"/>
                  <bond atomRefs2="a159 a168" order="S"/>
                  <bond atomRefs2="a160 a167" order="S"/>
                  <bond atomRefs2="a160 a161" order="S"/>
                  <bond atomRefs2="a160 a162" order="S"/>
                  <bond atomRefs2="a161 a163" order="S"/>
                  <bond atomRefs2="a161 a165" order="S"/>
                  <bond atomRefs2="a162 a167" order="S"/>
                  <bond atomRefs2="a163 a169" order="S"/>
                  <bond atomRefs2="a163 a165" order="S"/>
                  <bond atomRefs2="a163 a164" order="S"/>
                  <bond atomRefs2="a164 a173" order="S"/>
                  <bond atomRefs2="a164 a166" order="S"/>
                  <bond atomRefs2="a164 a165" order="S"/>
                  <bond atomRefs2="a165 a166" order="S"/>
                  <bond atomRefs2="a169 a172" order="S"/>
                  <bond atomRefs2="a170 a173" order="S"/>
                  <bond atomRefs2="a170 a174" order="S"/>
                  <bond atomRefs2="a171 a175" order="S"/>
                  <bond atomRefs2="a171 a172" order="S"/>
                  <bond atomRefs2="a171 a173" order="S"/>
                  <bond atomRefs2="a172 a176" order="S"/>
               </bondArray>
               <formula concise="C3H3Cu167O3">
                  <atomArray count="3 3 167 3" elementType="C H Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">10696.212300000027</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">1870.0000</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="4">PAW_PBE Cu 22Jun2005|PAW_PBE O 08Apr2002|PAW_PBE C 08Apr2002|PAW_PBE H 15Jun2001</array>
                  <array dictRef="cc:atomType" size="4">Cu O C H</array>
                  <array dataType="xsd:double" dictRef="cc:mass" size="4">63.55 16.00 12.01 1.00</array>
                  <array dataType="xsd:double" dictRef="cc:valence" size="4">11.00 6.00 4.00 1.00</array>
                  <array dataType="xsd:integer" dictRef="cc:atomcount" size="4">167 3 3 3</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="14.153944"
                        xFract="0.97332157"
                        y3="14.349706"
                        yFract="0.9867835"
                        z3="0.759975"
                        zFract="0.03454432"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="12.660809"
                        xFract="0.87064344"
                        y3="12.3306"
                        yFract="0.84793602"
                        z3="0.996126"
                        zFract="0.04527845"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="14.163696"
                        xFract="0.97399219"
                        y3="3.86345"
                        yFract="0.26567713"
                        z3="1.10722"
                        zFract="0.05032818"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="14.388629"
                        xFract="0.98946011"
                        y3="8.15255"
                        yFract="0.56062485"
                        z3="0.141537"
                        zFract="0.0064335"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="10.3315"
                        xFract="0.71046429"
                        y3="2.06497"
                        yFract="0.1420014"
                        z3="1.93738"
                        zFract="0.08806273"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="11.1884"
                        xFract="0.76939057"
                        y3="10.3356"
                        yFract="0.71074624"
                        z3="1.24351"
                        zFract="0.05652318"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="11.6820"
                        xFract="0.80333387"
                        y3="4.08956"
                        yFract="0.28122599"
                        z3="1.04381"
                        zFract="0.04744591"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="12.3072"
                        xFract="0.84632688"
                        y3="8.11816"
                        yFract="0.55825996"
                        z3="1.55205"
                        zFract="0.07054773"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="11.9171"
                        xFract="0.81950095"
                        y3="14.5269"
                        yFract="0.99896857"
                        z3="1.98637"
                        zFract="0.09028955"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="12.8038"
                        xFract="0.88047648"
                        y3="1.88385"
                        yFract="0.12954635"
                        z3="0.763742"
                        zFract="0.03471555"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="13.0088"
                        xFract="0.89457367"
                        y3="6.05988"
                        yFract="0.41671861"
                        z3="0.290191"
                        zFract="0.0131905"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="13.7790"
                        xFract="0.94753787"
                        y3="10.1194"
                        yFract="0.69587885"
                        z3="1.63283"
                        zFract="0.07421955"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="0.660974"
                        xFract="0.04545307"
                        y3="12.1570"
                        yFract="0.8359981"
                        z3="1.29922"
                        zFract="0.05905545"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="1.27612"
                        xFract="0.0877547"
                        y3="1.76979"
                        yFract="0.12170281"
                        z3="1.00849"
                        zFract="0.04584045"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="0.905997"
                        xFract="0.06230252"
                        y3="6.0183"
                        yFract="0.41385929"
                        z3="0.954625"
                        zFract="0.04339205"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="1.23042"
                        xFract="0.08461206"
                        y3="10.1923"
                        yFract="0.70089195"
                        z3="21.9590706"
                        zFract="0.99813957"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="3.36973"
                        xFract="0.23172558"
                        y3="14.4618393"
                        yFract="0.99449455"
                        z3="0.734734"
                        zFract="0.033397"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="2.59209"
                        xFract="0.17824976"
                        y3="12.2970"
                        yFract="0.84562546"
                        z3="21.738897"
                        zFract="0.98813168"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="3.72622"
                        xFract="0.25624026"
                        y3="3.76079"
                        yFract="0.25861753"
                        z3="0.289045"
                        zFract="0.01313841"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="2.29878"
                        xFract="0.15807977"
                        y3="8.10405"
                        yFract="0.55728966"
                        z3="0.800755"
                        zFract="0.03639795"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="5.02019"
                        xFract="0.34522245"
                        y3="12.4103"
                        yFract="0.85341674"
                        z3="0.487149"
                        zFract="0.02214314"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="5.57639"
                        xFract="0.38347055"
                        y3="2.17839"
                        yFract="0.14980093"
                        z3="0.638198"
                        zFract="0.029009"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="6.81471"
                        xFract="0.46862587"
                        y3="4.38325"
                        yFract="0.30142212"
                        z3="0.638244"
                        zFract="0.02901109"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="3.6861"
                        xFract="0.25348134"
                        y3="10.2178"
                        yFract="0.70264551"
                        z3="0.599194"
                        zFract="0.02723609"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="5.6665"
                        xFract="0.38966713"
                        y3="14.5000913"
                        yFract="0.99712502"
                        z3="1.68213"
                        zFract="0.07646045"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="6.20404"
                        xFract="0.42663204"
                        y3="10.3273"
                        yFract="0.71017547"
                        z3="1.34313"
                        zFract="0.06105136"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="7.51914"
                        xFract="0.51706727"
                        y3="4.26043"
                        yFract="0.29297618"
                        z3="3.11874"
                        zFract="0.14176091"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="8.24957"
                        xFract="0.56729661"
                        y3="6.43731"
                        yFract="0.44267327"
                        z3="0.732952"
                        zFract="0.033316"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="7.49898"
                        xFract="0.51568093"
                        y3="12.5687"
                        yFract="0.8643094"
                        z3="1.28191"
                        zFract="0.05826864"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="7.92096"
                        xFract="0.54469915"
                        y3="2.27722"
                        yFract="0.15659715"
                        z3="1.40325"
                        zFract="0.06378409"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="10.7407"
                        xFract="0.73860367"
                        y3="6.2888"
                        yFract="0.43246071"
                        z3="1.51093"
                        zFract="0.06867864"/>
                  <atom elementType="Cu"
                        id="a32"
                        x3="9.68454"
                        xFract="0.66597492"
                        y3="8.44376"
                        yFract="0.58065044"
                        z3="0.77215"
                        zFract="0.03509773"/>
                  <atom elementType="Cu"
                        id="a33"
                        x3="13.808914"
                        xFract="0.94959496"
                        y3="13.2363"
                        yFract="0.91021812"
                        z3="3.05726"
                        zFract="0.13896636"/>
                  <atom elementType="Cu"
                        id="a34"
                        x3="14.185111"
                        xFract="0.97546483"
                        y3="1.2597"
                        yFract="0.08662555"
                        z3="2.84513"
                        zFract="0.12932409"/>
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                  <bond atomRefs2="a156 a157" order="S"/>
                  <bond atomRefs2="a158 a166" order="S"/>
                  <bond atomRefs2="a159 a162" order="S"/>
                  <bond atomRefs2="a159 a168" order="S"/>
                  <bond atomRefs2="a160 a167" order="S"/>
                  <bond atomRefs2="a160 a161" order="S"/>
                  <bond atomRefs2="a160 a162" order="S"/>
                  <bond atomRefs2="a161 a163" order="S"/>
                  <bond atomRefs2="a161 a165" order="S"/>
                  <bond atomRefs2="a162 a167" order="S"/>
                  <bond atomRefs2="a163 a169" order="S"/>
                  <bond atomRefs2="a163 a165" order="S"/>
                  <bond atomRefs2="a163 a164" order="S"/>
                  <bond atomRefs2="a164 a173" order="S"/>
                  <bond atomRefs2="a164 a166" order="S"/>
                  <bond atomRefs2="a164 a165" order="S"/>
                  <bond atomRefs2="a165 a166" order="S"/>
                  <bond atomRefs2="a169 a172" order="S"/>
                  <bond atomRefs2="a170 a173" order="S"/>
                  <bond atomRefs2="a170 a174" order="S"/>
                  <bond atomRefs2="a171 a175" order="S"/>
                  <bond atomRefs2="a171 a172" order="S"/>
                  <bond atomRefs2="a171 a173" order="S"/>
                  <bond atomRefs2="a172 a176" order="S"/>
               </bondArray>
               <formula concise="C3H3Cu167O3">
                  <atomArray count="3 3 167 3" elementType="C H Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">10696.212300000027</scalar>
               </property>
            </molecule>
         </module>
      </module>
   </module>
</module>
