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                  <bond atomRefs2="a147 a148" order="S"/>
                  <bond atomRefs2="a148 a149" order="S"/>
                  <bond atomRefs2="a148 a150" order="S"/>
                  <bond atomRefs2="a148 a151" order="S"/>
                  <bond atomRefs2="a149 a152" order="S"/>
                  <bond atomRefs2="a149 a150" order="S"/>
                  <bond atomRefs2="a149 a151" order="S"/>
                  <bond atomRefs2="a150 a152" order="S"/>
                  <bond atomRefs2="a150 a151" order="S"/>
                  <bond atomRefs2="a153 a155" order="S"/>
                  <bond atomRefs2="a153 a154" order="S"/>
                  <bond atomRefs2="a157 a158" order="S"/>
               </bondArray>
               <formula concise="Cu158">
                  <atomArray count="158" elementType="Cu"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">10040.26800000002</scalar>
               </property>
               <formula convention="iupac:inchi" inline="">
                  <scalar dataType="xsd:integer" id="auxInfo"/>
               </formula>
            </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">1738.0000</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</array>
                  <array dictRef="cc:atomType" size="1">Cu</array>
                  <array dataType="xsd:double" dictRef="cc:mass" size="1">63.55</array>
                  <array dataType="xsd:double" dictRef="cc:valence" size="1">11.00</array>
                  <array dataType="xsd:integer" dictRef="cc:atomcount" size="1">158</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="13.263579"
                        xFract="0.91209401"
                        y3="0.419801"
                        yFract="0.02886838"
                        z3="1.77009"
                        zFract="0.08045864"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="14.279923"
                        xFract="0.98198475"
                        y3="11.4541"
                        yFract="0.78766191"
                        z3="1.6733"
                        zFract="0.07605909"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="14.388064"
                        xFract="0.98942126"
                        y3="2.60493"
                        yFract="0.17913273"
                        z3="1.10798"
                        zFract="0.05036273"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="0.617104"
                        xFract="0.04243627"
                        y3="6.99139"
                        yFract="0.48077559"
                        z3="2.34523"
                        zFract="0.10660136"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="10.7551"
                        xFract="0.73959391"
                        y3="0.301728"
                        yFract="0.02074887"
                        z3="1.70697"
                        zFract="0.07758955"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="11.8459"
                        xFract="0.81460475"
                        y3="10.7112"
                        yFract="0.73657505"
                        z3="1.16866"
                        zFract="0.05312091"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="10.1192"
                        xFract="0.6958651"
                        y3="4.30899"
                        yFract="0.29631549"
                        z3="0.881746"
                        zFract="0.04007936"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="11.0203"
                        xFract="0.75783087"
                        y3="6.48616"
                        yFract="0.44603253"
                        z3="0.23544"
                        zFract="0.01070182"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="12.1367"
                        xFract="0.83460214"
                        y3="12.8138"
                        yFract="0.88116415"
                        z3="2.3511"
                        zFract="0.10686818"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="11.7857"
                        xFract="0.81046499"
                        y3="2.45742"
                        yFract="0.16898893"
                        z3="1.2604"
                        zFract="0.05729091"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="12.7364"
                        xFract="0.87584159"
                        y3="4.6480"
                        yFract="0.31962813"
                        z3="0.709171"
                        zFract="0.03223505"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="13.5680"
                        xFract="0.93302807"
                        y3="8.98372"
                        yFract="0.61778176"
                        z3="1.76906"
                        zFract="0.08041182"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="0.801234"
                        xFract="0.05509831"
                        y3="13.6709"
                        yFract="0.94010418"
                        z3="1.33964"
                        zFract="0.06089273"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="0.869718"
                        xFract="0.05980773"
                        y3="1.10946"
                        yFract="0.07629402"
                        z3="2.95733"
                        zFract="0.13442409"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="2.90839"
                        xFract="0.2000007"
                        y3="5.43931"
                        yFract="0.374044"
                        z3="1.43092"
                        zFract="0.06504182"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="1.41298"
                        xFract="0.09716613"
                        y3="9.41976"
                        yFract="0.64776684"
                        z3="2.22555"
                        zFract="0.10116136"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="2.06597"
                        xFract="0.14207017"
                        y3="1.19783"
                        yFract="0.08237095"
                        z3="0.81496"
                        zFract="0.03704364"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="2.20476"
                        xFract="0.15161431"
                        y3="11.6285"
                        yFract="0.79965485"
                        z3="1.62458"
                        zFract="0.07384455"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="2.02447"
                        xFract="0.13921634"
                        y3="3.24965"
                        yFract="0.22346806"
                        z3="2.19977"
                        zFract="0.09998955"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="2.9674"
                        xFract="0.20405863"
                        y3="7.48561"
                        yFract="0.51476152"
                        z3="2.83155"
                        zFract="0.12870682"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="3.49911"
                        xFract="0.24062263"
                        y3="13.6436"
                        yFract="0.93822684"
                        z3="1.38499"
                        zFract="0.06295409"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="4.55906"
                        xFract="0.31351201"
                        y3="1.21435"
                        yFract="0.08350698"
                        z3="0.609847"
                        zFract="0.02772032"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="5.49801"
                        xFract="0.37808061"
                        y3="5.68634"
                        yFract="0.39103146"
                        z3="0.932036"
                        zFract="0.04236527"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="3.87874"
                        xFract="0.26672858"
                        y3="9.72521"
                        yFract="0.66877166"
                        z3="1.96844"
                        zFract="0.08947455"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="5.76125"
                        xFract="0.39618278"
                        y3="14.210784"
                        yFract="0.97723028"
                        z3="2.21774"
                        zFract="0.10080636"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="7.53055"
                        xFract="0.5178519"
                        y3="12.1721"
                        yFract="0.83703648"
                        z3="1.52032"
                        zFract="0.06910545"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="7.33285"
                        xFract="0.5042567"
                        y3="4.00031"
                        yFract="0.27508856"
                        z3="1.17868"
                        zFract="0.05357636"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="6.64383"
                        xFract="0.45687499"
                        y3="7.77525"
                        yFract="0.53467914"
                        z3="0.169521"
                        zFract="0.0077055"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="9.96023"
                        xFract="0.68493324"
                        y3="12.5289"
                        yFract="0.86157248"
                        z3="1.21217"
                        zFract="0.05509864"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="9.08707"
                        xFract="0.62488881"
                        y3="2.18326"
                        yFract="0.15013582"
                        z3="1.46427"
                        zFract="0.06655773"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="8.36869"
                        xFract="0.57548811"
                        y3="6.05628"
                        yFract="0.41647105"
                        z3="0.492688"
                        zFract="0.02239491"/>
                  <atom elementType="Cu"
                        id="a32"
                        x3="9.21194"
                        xFract="0.63347572"
                        y3="8.21261"
                        yFract="0.56475499"
                        z3="21.820832"
                        zFract="0.991856"/>
                  <atom elementType="Cu"
                        id="a33"
                        x3="14.149718"
                        xFract="0.97303096"
                        y3="13.3355"
                        yFract="0.91703979"
                        z3="3.6220"
                        zFract="0.16463636"/>
                  <atom elementType="Cu"
                        id="a34"
                        x3="13.284929"
                        xFract="0.91356218"
                        y3="2.39561"
                        yFract="0.16473846"
                        z3="3.30381"
                        zFract="0.15017318"/>
                  <atom elementType="Cu"
                        id="a35"
                        x3="14.331583"
                        xFract="0.98553724"
                        y3="4.62962"
                        yFract="0.3183642"
                        z3="2.65995"
                        zFract="0.12090682"/>
                  <atom elementType="Cu"
                        id="a36"
                        x3="0.213025"
                        xFract="0.01464905"
                        y3="8.75622"
                        yFract="0.60213731"
                        z3="4.26333"
                        zFract="0.19378773"/>
                  <atom elementType="Cu"
                        id="a37"
                        x3="9.93992"
                        xFract="0.68353659"
                        y3="13.4057"
                        yFract="0.92186722"
                        z3="3.50121"
                        zFract="0.15914591"/>
                  <atom elementType="Cu"
                        id="a38"
                        x3="10.5586"
                        xFract="0.72608124"
                        y3="2.12281"
                        yFract="0.14597887"
                        z3="3.47175"
                        zFract="0.15780682"/>
                  <atom elementType="Cu"
                        id="a39"
                        x3="9.91595"
                        xFract="0.68188825"
                        y3="6.3402"
                        yFract="0.43599533"
                        z3="2.42383"
                        zFract="0.11017409"/>
                  <atom elementType="Cu"
                        id="a40"
                        x3="10.8860"
                        xFract="0.74859549"
                        y3="8.52381"
                        yFract="0.58615522"
                        z3="1.62515"
                        zFract="0.07387045"/>
                  <atom elementType="Cu"
                        id="a41"
                        x3="12.0604"
                        xFract="0.82935523"
                        y3="0.19853"
                        yFract="0.01365227"
                        z3="4.06892"
                        zFract="0.18495091"/>
                  <atom elementType="Cu"
                        id="a42"
                        x3="13.0886"
                        xFract="0.90006126"
                        y3="10.8220"
                        yFract="0.74419441"
                        z3="3.66314"
                        zFract="0.16650636"/>
                  <atom elementType="Cu"
                        id="a43"
                        x3="11.6567"
                        xFract="0.80159407"
                        y3="4.39878"
                        yFract="0.30249007"
                        z3="2.90795"
                        zFract="0.13217955"/>
                  <atom elementType="Cu"
                        id="a44"
                        x3="12.6714"
                        xFract="0.87137175"
                        y3="6.65073"
                        yFract="0.45734948"
                        z3="2.18895"
                        zFract="0.09949773"/>
                  <atom elementType="Cu"
                        id="a45"
                        x3="14.36127"
                        xFract="0.98757872"
                        y3="0.784721"
                        yFract="0.05396276"
                        z3="5.2100"
                        zFract="0.23681818"/>
                  <atom elementType="Cu"
                        id="a46"
                        x3="0.969149"
                        xFract="0.06664528"
                        y3="11.2149"
                        yFract="0.77121289"
                        z3="4.09985"
                        zFract="0.18635682"/>
                  <atom elementType="Cu"
                        id="a47"
                        x3="0.995588"
                        xFract="0.06846341"
                        y3="3.0049"
                        yFract="0.20663739"
                        z3="4.55881"
                        zFract="0.20721864"/>
                  <atom elementType="Cu"
                        id="a48"
                        x3="1.95394"
                        xFract="0.13436622"
                        y3="5.23028"
                        yFract="0.35966967"
                        z3="3.72988"
                        zFract="0.16954"/>
                  <atom elementType="Cu"
                        id="a49"
                        x3="2.08048"
                        xFract="0.14306797"
                        y3="13.5791"
                        yFract="0.93379138"
                        z3="3.42195"
                        zFract="0.15554318"/>
                  <atom elementType="Cu"
                        id="a50"
                        x3="3.56574"
                        xFract="0.24520456"
                        y3="1.12159"
                        yFract="0.07712817"
                        z3="2.83487"
                        zFract="0.12885773"/>
                  <atom elementType="Cu"
                        id="a51"
                        x3="4.56663"
                        xFract="0.31403258"
                        y3="5.51069"
                        yFract="0.37895257"
                        z3="3.21867"
                        zFract="0.14630318"/>
                  <atom elementType="Cu"
                        id="a52"
                        x3="2.69257"
                        xFract="0.18515945"
                        y3="9.32093"
                        yFract="0.64097062"
                        z3="4.49205"
                        zFract="0.20418409"/>
                  <atom elementType="Cu"
                        id="a53"
                        x3="5.59407"
                        xFract="0.38468635"
                        y3="1.36157"
                        yFract="0.09363082"
                        z3="4.31021"
                        zFract="0.19591864"/>
                  <atom elementType="Cu"
                        id="a54"
                        x3="5.25339"
                        xFract="0.36125887"
                        y3="11.8728"
                        yFract="0.81645458"
                        z3="2.34034"
                        zFract="0.10637909"/>
                  <atom elementType="Cu"
                        id="a55"
                        x3="4.57014"
                        xFract="0.31427395"
                        y3="3.44507"
                        yFract="0.23690647"
                        z3="1.70558"
                        zFract="0.07752636"/>
                  <atom elementType="Cu"
                        id="a56"
                        x3="5.4376"
                        xFract="0.3739264"
                        y3="7.77053"
                        yFract="0.53435456"
                        z3="2.36244"
                        zFract="0.10738364"/>
                  <atom elementType="Cu"
                        id="a57"
                        x3="7.22567"
                        xFract="0.49688627"
                        y3="13.0214"
                        yFract="0.89544013"
                        z3="3.79073"
                        zFract="0.17230591"/>
                  <atom elementType="Cu"
                        id="a58"
                        x3="6.57715"
                        xFract="0.45228962"
                        y3="1.86016"
                        yFract="0.12791727"
                        z3="1.8707"
                        zFract="0.08503182"/>
                  <atom elementType="Cu"
                        id="a59"
                        x3="7.19024"
                        xFract="0.49444987"
                        y3="5.95203"
                        yFract="0.40930211"
                        z3="2.76842"
                        zFract="0.12583727"/>
                  <atom elementType="Cu"
                        id="a60"
                        x3="6.43343"
                        xFract="0.44240646"
                        y3="9.89661"
                        yFract="0.6805583"
                        z3="1.47982"
                        zFract="0.06726455"/>
                  <atom elementType="Cu"
                        id="a61"
                        x3="8.27013"
                        xFract="0.56871046"
                        y3="14.4832841"
                        yFract="0.99596924"
                        z3="2.01259"
                        zFract="0.09148136"/>
                  <atom elementType="Cu"
                        id="a62"
                        x3="9.09361"
                        xFract="0.62533855"
                        y3="10.2573"
                        yFract="0.7053618"
                        z3="1.18428"
                        zFract="0.05383091"/>
                  <atom elementType="Cu"
                        id="a63"
                        x3="8.9300"
                        xFract="0.61408761"
                        y3="4.11043"
                        yFract="0.28266116"
                        z3="3.11871"
                        zFract="0.14175955"/>
                  <atom elementType="Cu"
                        id="a64"
                        x3="8.1282"
                        xFract="0.55895038"
                        y3="8.1498"
                        yFract="0.56043574"
                        z3="2.03697"
                        zFract="0.09258955"/>
                  <atom elementType="Cu"
                        id="a65"
                        x3="12.693179"
                        xFract="0.87286942"
                        y3="14.090392"
                        yFract="0.9689513"
                        z3="6.51473"
                        zFract="0.29612409"/>
                  <atom elementType="Cu"
                        id="a66"
                        x3="13.903144"
                        xFract="0.95607486"
                        y3="10.2003"
                        yFract="0.70144209"
                        z3="6.00676"
                        zFract="0.27303455"/>
                  <atom elementType="Cu"
                        id="a67"
                        x3="13.591496"
                        xFract="0.93464382"
                        y3="4.01398"
                        yFract="0.2760286"
                        z3="7.35681"
                        zFract="0.33440045"/>
                  <atom elementType="Cu"
                        id="a68"
                        x3="14.083831"
                        xFract="0.96850013"
                        y3="6.48731"
                        yFract="0.44611161"
                        z3="4.58331"
                        zFract="0.20833227"/>
                  <atom elementType="Cu"
                        id="a69"
                        x3="8.68003"
                        xFract="0.59689797"
                        y3="14.38873"
                        yFract="0.98946706"
                        z3="5.28362"
                        zFract="0.24016455"/>
                  <atom elementType="Cu"
                        id="a70"
                        x3="10.4782"
                        xFract="0.72055238"
                        y3="10.8618"
                        yFract="0.74693133"
                        z3="3.19498"
                        zFract="0.14522636"/>
                  <atom elementType="Cu"
                        id="a71"
                        x3="10.4879"
                        xFract="0.72121942"
                        y3="4.22133"
                        yFract="0.2902874"
                        z3="5.10116"
                        zFract="0.23187091"/>
                  <atom elementType="Cu"
                        id="a72"
                        x3="11.3949"
                        xFract="0.78359092"
                        y3="6.4615"
                        yFract="0.44433674"
                        z3="4.35794"
                        zFract="0.19808818"/>
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                  <bond atomRefs2="a122 a123" order="S"/>
                  <bond atomRefs2="a122 a124" order="S"/>
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                  <bond atomRefs2="a123 a124" order="S"/>
                  <bond atomRefs2="a123 a147" order="S"/>
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                  <bond atomRefs2="a123 a135" order="S"/>
                  <bond atomRefs2="a123 a125" order="S"/>
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                  <bond atomRefs2="a132 a140" order="S"/>
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                  <bond atomRefs2="a135 a143" order="S"/>
                  <bond atomRefs2="a136 a146" order="S"/>
                  <bond atomRefs2="a136 a140" order="S"/>
                  <bond atomRefs2="a137 a146" order="S"/>
                  <bond atomRefs2="a137 a139" order="S"/>
                  <bond atomRefs2="a137 a145" order="S"/>
                  <bond atomRefs2="a137 a138" order="S"/>
                  <bond atomRefs2="a138 a154" order="S"/>
                  <bond atomRefs2="a138 a141" order="S"/>
                  <bond atomRefs2="a138 a153" order="S"/>
                  <bond atomRefs2="a138 a155" order="S"/>
                  <bond atomRefs2="a138 a144" order="S"/>
                  <bond atomRefs2="a138 a139" order="S"/>
                  <bond atomRefs2="a139 a146" order="S"/>
                  <bond atomRefs2="a139 a144" order="S"/>
                  <bond atomRefs2="a139 a140" order="S"/>
                  <bond atomRefs2="a139 a151" order="S"/>
                  <bond atomRefs2="a139 a145" order="S"/>
                  <bond atomRefs2="a139 a141" order="S"/>
                  <bond atomRefs2="a140 a153" order="S"/>
                  <bond atomRefs2="a141 a142" order="S"/>
                  <bond atomRefs2="a141 a143" order="S"/>
                  <bond atomRefs2="a141 a149" order="S"/>
                  <bond atomRefs2="a141 a144" order="S"/>
                  <bond atomRefs2="a141 a151" order="S"/>
                  <bond atomRefs2="a141 a145" order="S"/>
                  <bond atomRefs2="a142 a143" order="S"/>
                  <bond atomRefs2="a142 a154" order="S"/>
                  <bond atomRefs2="a142 a144" order="S"/>
                  <bond atomRefs2="a143 a149" order="S"/>
                  <bond atomRefs2="a143 a151" order="S"/>
                  <bond atomRefs2="a143 a144" order="S"/>
                  <bond atomRefs2="a144 a153" order="S"/>
                  <bond atomRefs2="a144 a154" order="S"/>
                  <bond atomRefs2="a145 a146" order="S"/>
                  <bond atomRefs2="a145 a147" order="S"/>
                  <bond atomRefs2="a145 a151" order="S"/>
                  <bond atomRefs2="a145 a148" order="S"/>
                  <bond atomRefs2="a146 a147" order="S"/>
                  <bond atomRefs2="a147 a151" order="S"/>
                  <bond atomRefs2="a147 a148" order="S"/>
                  <bond atomRefs2="a148 a149" order="S"/>
                  <bond atomRefs2="a148 a150" order="S"/>
                  <bond atomRefs2="a148 a151" order="S"/>
                  <bond atomRefs2="a149 a152" order="S"/>
                  <bond atomRefs2="a149 a150" order="S"/>
                  <bond atomRefs2="a149 a151" order="S"/>
                  <bond atomRefs2="a150 a152" order="S"/>
                  <bond atomRefs2="a150 a151" order="S"/>
                  <bond atomRefs2="a153 a155" order="S"/>
                  <bond atomRefs2="a153 a154" order="S"/>
                  <bond atomRefs2="a157 a158" order="S"/>
               </bondArray>
               <formula concise="Cu158">
                  <atomArray count="158" elementType="Cu"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">10040.26800000002</scalar>
               </property>
               <formula convention="iupac:inchi" inline="">
                  <scalar dataType="xsd:integer" id="auxInfo"/>
               </formula>
            </molecule>
         </module>
      </module>
   </module>
</module>
