<?xml version="1.0" encoding="UTF-8"?>
<module xmlns="http://www.xml-cml.org/schema"
        xmlns:cc="http://www.xml-cml.org/dictionary/compchem/"
        xmlns:cml="http://www.xml-cml.org/schema"
        xmlns:cmlx="http://www.xml-cml.org/schema/cmlx"
        xmlns:convention="http://www.xml-cml.org/convention/"
        xmlns:nonsi="http://www.xml-cml.org/unit/nonSi/"
        xmlns:nonsi2="http://www.iochem-bd.org/unit/nonSi2/"
        xmlns:si="http://www.xml-cml.org/unit/si/"
        xmlns:v="http://www.iochem-bd.org/dictionary/vasp/"
        xmlns:xi="http://www.w3.org/2001/XInclude"
        xmlns:xsd="http://www.w3.org/2001/XMLSchema"
        convention="convention:compchem"
        id="vasp.outcar">
   <module dictRef="cc:jobList" id="jobList1">
      <module cmlx:templateRef="job" dictRef="cc:job" id="job">
         <module dictRef="cc:environment" id="environment">
            <parameterList>
               <parameter dictRef="cc:program">
                  <scalar dataType="xsd:string">vasp</scalar>
               </parameter>
               <parameter dictRef="cc:programVersion">
                  <scalar dataType="xsd:string">5.4.4</scalar>
               </parameter>
               <parameter dictRef="cc:subversion">
                  <scalar dataType="xsd:string">18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex</scalar>
               </parameter>
               <parameter dictRef="v:platform">
                  <scalar dataType="xsd:string">tekla2IFC</scalar>
               </parameter>
               <parameter dictRef="cc:rundate">
                  <scalar dataType="xsd:date">2022-04-05T17:49:35.000</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <molecule id="initial">
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                  <scalar id="sc2" title="b" units="nonsi:angstrom">9.40530916445849</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">20.0</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">60.0</scalar>
               </crystal>
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                        y3="1.35753947"
                        yFract="0.16666667"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        xFract="0.33333333"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Zn"
                        id="a3"
                        x3="3.13510307"
                        xFract="0.16666667"
                        y3="2.71507886"
                        yFract="0.33333333"
                        z3="0.0000"
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                        xFract="0.5000"
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                        yFract="0.16666667"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        xFract="0.66666667"
                        y3="2.71507886"
                        yFract="0.33333333"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        xFract="0.0000"
                        y3="5.43015781"
                        yFract="0.66666667"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        x3="5.48643031"
                        xFract="0.33333333"
                        y3="4.07261833"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        id="a9"
                        x3="5.48643036"
                        xFract="0.16666667"
                        y3="6.7876972"
                        yFract="0.83333333"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Zn"
                        id="a10"
                        x3="7.83775765"
                        xFract="0.5000"
                        y3="5.43015781"
                        yFract="0.66666667"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        x3="10.1890849"
                        xFract="0.83333333"
                        y3="4.07261833"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        id="a12"
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                        xFract="0.66666667"
                        y3="6.7876972"
                        yFract="0.83333333"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.3535068"
                        zFract="0.11767534"/>
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                        y3="1.35753947"
                        yFract="0.16666667"
                        z3="2.3535068"
                        zFract="0.11767534"/>
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                        xFract="0.33333333"
                        y3="2.71507886"
                        yFract="0.33333333"
                        z3="2.3535068"
                        zFract="0.11767534"/>
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                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.3535068"
                        zFract="0.11767534"/>
                  <atom elementType="Zn"
                        id="a17"
                        x3="7.05398192"
                        xFract="0.66666667"
                        y3="1.35753947"
                        yFract="0.16666667"
                        z3="2.3535068"
                        zFract="0.11767534"/>
                  <atom elementType="Zn"
                        id="a18"
                        x3="9.40530912"
                        xFract="0.83333333"
                        y3="2.71507886"
                        yFract="0.33333333"
                        z3="2.3535068"
                        zFract="0.11767534"/>
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                        id="a19"
                        x3="2.35132729"
                        xFract="0.0000"
                        y3="4.07261833"
                        yFract="0.5000"
                        z3="2.3535068"
                        zFract="0.11767534"/>
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                        id="a20"
                        x3="4.70265463"
                        xFract="0.16666667"
                        y3="5.43015781"
                        yFract="0.66666667"
                        z3="2.3535068"
                        zFract="0.11767534"/>
                  <atom elementType="Zn"
                        id="a21"
                        x3="7.05398183"
                        xFract="0.33333333"
                        y3="6.7876972"
                        yFract="0.83333333"
                        z3="2.3535068"
                        zFract="0.11767534"/>
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                        id="a22"
                        x3="7.05398187"
                        xFract="0.5000"
                        y3="4.07261833"
                        yFract="0.5000"
                        z3="2.3535068"
                        zFract="0.11767534"/>
                  <atom elementType="Zn"
                        id="a23"
                        x3="9.40530921"
                        xFract="0.66666667"
                        y3="5.43015781"
                        yFract="0.66666667"
                        z3="2.3535068"
                        zFract="0.11767534"/>
                  <atom elementType="Zn"
                        id="a24"
                        x3="11.75663641"
                        xFract="0.83333333"
                        y3="6.7876972"
                        yFract="0.83333333"
                        z3="2.3535068"
                        zFract="0.11767534"/>
                  <atom elementType="Zn"
                        id="a25"
                        x3="0.79333877"
                        xFract="0.00098604"
                        y3="1.35804"
                        yFract="0.16672812"
                        z3="4.7353124"
                        zFract="0.23676562"/>
                  <atom elementType="Zn"
                        id="a26"
                        x3="3.13392515"
                        xFract="0.33258938"
                        y3="0.01007916"
                        yFract="0.00123743"
                        z3="4.7372114"
                        zFract="0.23686057"/>
                  <atom elementType="Zn"
                        id="a27"
                        x3="3.13804284"
                        xFract="0.16609308"
                        y3="2.72951475"
                        yFract="0.33510564"
                        z3="4.7283912"
                        zFract="0.23641956"/>
                  <atom elementType="Zn"
                        id="a28"
                        x3="5.49113828"
                        xFract="0.49975105"
                        y3="1.36974934"
                        yFract="0.16816569"
                        z3="4.7293682"
                        zFract="0.23646841"/>
                  <atom elementType="Zn"
                        id="a29"
                        x3="7.84704427"
                        xFract="0.83413635"
                        y3="0.00300339"
                        yFract="0.00036873"
                        z3="4.7285318"
                        zFract="0.23642659"/>
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                        id="a30"
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                        xFract="0.66610722"
                        y3="2.72741295"
                        yFract="0.3348476"
                        z3="4.7280738"
                        zFract="0.23640369"/>
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                        id="a31"
                        x3="3.15505465"
                        xFract="0.00120673"
                        y3="5.44505675"
                        yFract="0.66849583"
                        z3="4.761366"
                        zFract="0.2380683"/>
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                        id="a32"
                        x3="5.48349219"
                        xFract="0.33107963"
                        y3="4.10424319"
                        yFract="0.50388262"
                        z3="4.7448972"
                        zFract="0.23724486"/>
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                        xFract="0.16619932"
                        y3="6.79020414"
                        yFract="0.83364111"
                        z3="4.7491788"
                        zFract="0.23745894"/>
                  <atom elementType="Zn"
                        id="a34"
                        x3="7.8430686"
                        xFract="0.49994678"
                        y3="5.44022361"
                        yFract="0.66790246"
                        z3="4.7245574"
                        zFract="0.23622787"/>
                  <atom elementType="Zn"
                        id="a35"
                        x3="10.19977107"
                        xFract="0.8334829"
                        y3="4.08869076"
                        yFract="0.50197323"
                        z3="4.7331234"
                        zFract="0.23665617"/>
                  <atom elementType="Zn"
                        id="a36"
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                        xFract="0.66770932"
                        y3="6.79207779"
                        yFract="0.83387114"
                        z3="4.7333796"
                        zFract="0.23666898"/>
                  <atom elementType="Zn"
                        id="a37"
                        x3="9.41304259"
                        xFract="0.99917422"
                        y3="0.02684703"
                        yFract="0.00329604"
                        z3="7.131702"
                        zFract="0.3565851"/>
                  <atom elementType="Zn"
                        id="a38"
                        x3="2.36577568"
                        xFract="0.16665217"
                        y3="1.38280095"
                        yFract="0.16976805"
                        z3="7.1216806"
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                        id="a39"
                        x3="4.71894401"
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                        y3="2.74314645"
                        yFract="0.33677922"
                        z3="7.0688686"
                        zFract="0.35344343"/>
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                        id="a40"
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                        xFract="0.49997996"
                        y3="0.01960534"
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                        id="a43"
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                        xFract="0.99978968"
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                  <bond atomRefs2="a26 a28" order="S"/>
                  <bond atomRefs2="a27 a39" order="S"/>
                  <bond atomRefs2="a27 a28" order="S"/>
                  <bond atomRefs2="a27 a31" order="S"/>
                  <bond atomRefs2="a27 a32" order="S"/>
                  <bond atomRefs2="a28 a39" order="S"/>
                  <bond atomRefs2="a28 a32" order="S"/>
                  <bond atomRefs2="a28 a29" order="S"/>
                  <bond atomRefs2="a28 a30" order="S"/>
                  <bond atomRefs2="a29 a30" order="S"/>
                  <bond atomRefs2="a30 a35" order="S"/>
                  <bond atomRefs2="a30 a41" order="S"/>
                  <bond atomRefs2="a30 a46" order="S"/>
                  <bond atomRefs2="a30 a34" order="S"/>
                  <bond atomRefs2="a30 a32" order="S"/>
                  <bond atomRefs2="a31 a33" order="S"/>
                  <bond atomRefs2="a31 a32" order="S"/>
                  <bond atomRefs2="a32 a39" order="S"/>
                  <bond atomRefs2="a32 a33" order="S"/>
                  <bond atomRefs2="a32 a46" order="S"/>
                  <bond atomRefs2="a32 a34" order="S"/>
                  <bond atomRefs2="a33 a34" order="S"/>
                  <bond atomRefs2="a34 a35" order="S"/>
                  <bond atomRefs2="a34 a46" order="S"/>
                  <bond atomRefs2="a34 a36" order="S"/>
                  <bond atomRefs2="a35 a36" order="S"/>
                  <bond atomRefs2="a37 a42" order="S"/>
                  <bond atomRefs2="a37 a41" order="S"/>
                  <bond atomRefs2="a38 a39" order="S"/>
                  <bond atomRefs2="a38 a40" order="S"/>
                  <bond atomRefs2="a39 a44" order="S"/>
                  <bond atomRefs2="a39 a40" order="S"/>
                  <bond atomRefs2="a39 a41" order="S"/>
                  <bond atomRefs2="a39 a46" order="S"/>
                  <bond atomRefs2="a40 a41" order="S"/>
                  <bond atomRefs2="a41 a42" order="S"/>
                  <bond atomRefs2="a41 a46" order="S"/>
                  <bond atomRefs2="a42 a46" order="S"/>
                  <bond atomRefs2="a42 a47" order="S"/>
                  <bond atomRefs2="a42 a43" order="S"/>
                  <bond atomRefs2="a43 a47" order="S"/>
                  <bond atomRefs2="a43 a48" order="S"/>
                  <bond atomRefs2="a44 a46" order="S"/>
                  <bond atomRefs2="a44 a45" order="S"/>
                  <bond atomRefs2="a45 a46" order="S"/>
                  <bond atomRefs2="a45 a47" order="S"/>
                  <bond atomRefs2="a46 a47" order="S"/>
                  <bond atomRefs2="a47 a48" order="S"/>
                  <bond atomRefs2="a49 a61" order="S"/>
                  <bond atomRefs2="a50 a59" order="S"/>
                  <bond atomRefs2="a51 a57" order="S"/>
                  <bond atomRefs2="a52 a57" order="S"/>
                  <bond atomRefs2="a53 a58" order="S"/>
                  <bond atomRefs2="a54 a58" order="S"/>
                  <bond atomRefs2="a55 a58" order="S"/>
                  <bond atomRefs2="a56 a60" order="S"/>
                  <bond atomRefs2="a56 a61" order="S"/>
                  <bond atomRefs2="a56 a59" order="S"/>
                  <bond atomRefs2="a57 a58" order="S"/>
                  <bond atomRefs2="a57 a59" order="S"/>
               </bondArray>
               <formula concise="C3H7NO2Zn48">
                  <atomArray count="3 7 1 2 48" elementType="C H N O Zn"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">3221.669600000003</scalar>
               </property>
            </molecule>
            <parameterList>
               <parameter dictRef="v:nwrite">
                  <scalar dataType="xsd:integer">0</scalar>
               </parameter>
               <parameter dictRef="v:ispin">
                  <scalar dataType="xsd:integer">1</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">-.2E-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">612.0000</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="5">PAW_PBE Zn 06Sep2000|PAW_PBE H 15Jun2001|PAW_PBE C 08Apr2002|PAW_PBE N 08Apr2002|PAW_PBE O 08Apr2002</array>
                  <array dictRef="cc:atomType" size="5">Zn H C N O</array>
                  <array dataType="xsd:double" dictRef="cc:mass" size="5">65.39 1.00 12.01 14.00 16.00</array>
                  <array dataType="xsd:double" dictRef="cc:valence" size="5">12.00 1.00 4.00 5.00 6.00</array>
                  <array dataType="xsd:integer" dictRef="cc:atomcount" size="5">48 7 3 1 2</array>
               </module>
               <module cmlx:templateRef="kpoints"
                       dictRef="cc:userDefinedModule"
                       id="vasp.kpoints">
                  <scalar dataType="xsd:string" dictRef="v:comment">K-POINTS</scalar>
                  <scalar dataType="xsd:integer" dictRef="v:kpointnum">0</scalar>
                  <scalar dataType="xsd:string" dictRef="v:meshScheme">Gamma</scalar>
                  <array dataType="xsd:integer" dictRef="v:subdivisionN" size="3">3 3 1</array>
                  <array dataType="xsd:double" dictRef="v:shiftS" size="3">0 0 0</array>
               </module>
            </module>
         </module>
         <module dictRef="cc:calculation" id="calculation">
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="eigenvalues">
                  <list id="spin">
                     <scalar dataType="xsd:integer" dictRef="cc:spin">1</scalar>
                     <array dataType="xsd:integer" dictRef="cc:serial" size="5">1 2 3 4 5</array>
                     <array dataType="xsd:double" dictRef="cc:eigen" size="1860">-24.5709 -22.2915 -20.2989 -15.8119 -12.8622 -12.1359 -11.5144 -10.1178 -9.1807 -9.0511 -8.7973 -8.4906 -8.4400 -8.4110 -8.4096 -8.4047 -8.3740 -8.3728 -8.3722 -8.2938 -8.2909 -8.2872 -8.2815 -8.2796 -8.2761 -8.2704 -8.2694 -8.2649 -8.0866 -8.0804 -8.0800 -8.0690 -8.0683 -8.0650 -8.0634 -8.0606 -8.0589 -8.0575 -8.0549 -8.0472 -8.0461 -8.0455 -8.0114 -8.0110 -8.0094 -8.0093 -8.0079 -8.0070 -8.0058 -8.0040 -8.0011 -7.9904 -7.9854 -7.9822 -7.9805 -7.9777 -7.9733 -7.9668 -7.9655 -7.9637 -7.9627 -7.9216 -7.9187 -7.9164 -7.9127 -7.9110 -7.9076 -7.8538 -7.8523 -7.8519 -7.8382 -7.8374 -7.8325 -7.8237 -7.8219 -7.8213 -7.8200 -7.8195 -7.8181 -7.8166 -7.8134 -7.8085 -7.8076 -7.8052 -7.8049 -7.8038 -7.8023 -7.7981 -7.7933 -7.7911 -7.7825 -7.7770 -7.7399 -7.7396 -7.6992 -7.6982 -7.6783 -7.6507 -7.6488 -7.6479 -7.6450 -7.6434 -7.6419 -7.6397 -7.6390 -7.6378 -7.6122 -7.6120 -7.6108 -7.6099 -7.6065 -7.6049 -7.6042 -7.6019 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                        id="a33"
                        x3="5.48276743"
                        xFract="0.1665681"
                        y3="6.78295856"
                        yFract="0.83275156"
                        z3="4.74836036"
                        zFract="0.23741802"/>
                  <atom elementType="Zn"
                        id="a34"
                        x3="7.84356927"
                        xFract="0.50060385"
                        y3="5.4303868"
                        yFract="0.66669478"
                        z3="4.7311382"
                        zFract="0.23655691"/>
                  <atom elementType="Zn"
                        id="a35"
                        x3="10.19788996"
                        xFract="0.83392514"
                        y3="4.07822825"
                        yFract="0.50068874"
                        z3="4.73783576"
                        zFract="0.23689179"/>
                  <atom elementType="Zn"
                        id="a36"
                        x3="10.20089122"
                        xFract="0.66803754"
                        y3="6.78581423"
                        yFract="0.83310216"
                        z3="4.73508226"
                        zFract="0.23675411"/>
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                        y3="0.01146596"
                        yFract="0.00140769"
                        z3="7.1452792"
                        zFract="0.35726396"/>
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                        y3="1.36725929"
                        yFract="0.16785998"
                        z3="7.12554848"
                        zFract="0.35627742"/>
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                        x3="4.72818162"
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                        y3="2.72802751"
                        yFract="0.33492305"
                        z3="7.11092826"
                        zFract="0.35554641"/>
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                        xFract="0.50192318"
                        y3="0.00250747"
                        yFract="0.00030784"
                        z3="7.13401354"
                        zFract="0.35670068"/>
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                        y3="1.36088356"
                        yFract="0.16707723"
                        z3="7.11723097"
                        zFract="0.35586155"/>
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                        id="a42"
                        x3="9.42038426"
                        xFract="0.83436304"
                        y3="2.7244153"
                        yFract="0.33447957"
                        z3="7.13089998"
                        zFract="0.356545"/>
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                        id="a43"
                        x3="2.36944983"
                        xFract="0.00085929"
                        y3="4.09000919"
                        yFract="0.50213509"
                        z3="7.16098616"
                        zFract="0.35804931"/>
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                        x3="4.71412986"
                        xFract="0.16637227"
                        y3="5.4548294"
                        yFract="0.66969563"
                        z3="7.28736158"
                        zFract="0.36436808"/>
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                        y3="6.79314331"
                        yFract="0.83400196"
                        z3="7.13566412"
                        zFract="0.35678321"/>
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                        x3="7.06758372"
                        xFract="0.50025598"
                        y3="4.09200735"
                        yFract="0.50238041"
                        z3="7.10892289"
                        zFract="0.35544614"/>
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                        id="a47"
                        x3="9.41501794"
                        xFract="0.66726371"
                        y3="5.43724768"
                        yFract="0.6675371"
                        z3="7.13604153"
                        zFract="0.35680208"/>
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                        id="a48"
                        x3="11.77430535"
                        xFract="0.83472893"
                        y3="6.79556579"
                        yFract="0.83429937"
                        z3="7.14801184"
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                        z3="9.79963523"
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                        y3="3.16527377"
                        yFract="0.38860427"
                        z3="10.50086633"
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                        yFract="0.65183841"
                        z3="10.21295996"
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                        yFract="0.44480126"
                        z3="10.12915755"
                        zFract="0.50645788"/>
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               <bondArray>
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                  <bond atomRefs2="a1 a14" order="S"/>
                  <bond atomRefs2="a1 a13" order="S"/>
                  <bond atomRefs2="a1 a3" order="S"/>
                  <bond atomRefs2="a2 a4" order="S"/>
                  <bond atomRefs2="a2 a16" order="S"/>
                  <bond atomRefs2="a2 a3" order="S"/>
                  <bond atomRefs2="a2 a14" order="S"/>
                  <bond atomRefs2="a3 a15" order="S"/>
                  <bond atomRefs2="a3 a4" order="S"/>
                  <bond atomRefs2="a3 a14" order="S"/>
                  <bond atomRefs2="a3 a7" order="S"/>
                  <bond atomRefs2="a3 a19" order="S"/>
                  <bond atomRefs2="a3 a8" order="S"/>
                  <bond atomRefs2="a4 a15" order="S"/>
                  <bond atomRefs2="a4 a16" order="S"/>
                  <bond atomRefs2="a4 a8" order="S"/>
                  <bond atomRefs2="a4 a6" order="S"/>
                  <bond atomRefs2="a4 a17" order="S"/>
                  <bond atomRefs2="a4 a5" order="S"/>
                  <bond atomRefs2="a5 a6" order="S"/>
                  <bond atomRefs2="a5 a17" order="S"/>
                  <bond atomRefs2="a6 a11" order="S"/>
                  <bond atomRefs2="a6 a18" order="S"/>
                  <bond atomRefs2="a6 a17" order="S"/>
                  <bond atomRefs2="a6 a22" order="S"/>
                  <bond atomRefs2="a6 a10" order="S"/>
                  <bond atomRefs2="a6 a8" order="S"/>
                  <bond atomRefs2="a7 a20" order="S"/>
                  <bond atomRefs2="a7 a19" order="S"/>
                  <bond atomRefs2="a7 a8" order="S"/>
                  <bond atomRefs2="a7 a9" order="S"/>
                  <bond atomRefs2="a8 a20" order="S"/>
                  <bond atomRefs2="a8 a9" order="S"/>
                  <bond atomRefs2="a8 a15" order="S"/>
                  <bond atomRefs2="a8 a10" order="S"/>
                  <bond atomRefs2="a8 a22" order="S"/>
                  <bond atomRefs2="a9 a20" order="S"/>
                  <bond atomRefs2="a9 a21" order="S"/>
                  <bond atomRefs2="a9 a10" order="S"/>
                  <bond atomRefs2="a10 a11" order="S"/>
                  <bond atomRefs2="a10 a23" order="S"/>
                  <bond atomRefs2="a10 a21" order="S"/>
                  <bond atomRefs2="a10 a12" order="S"/>
                  <bond atomRefs2="a10 a22" order="S"/>
                  <bond atomRefs2="a11 a23" order="S"/>
                  <bond atomRefs2="a11 a12" order="S"/>
                  <bond atomRefs2="a11 a18" order="S"/>
                  <bond atomRefs2="a12 a23" order="S"/>
                  <bond atomRefs2="a12 a24" order="S"/>
                  <bond atomRefs2="a13 a14" order="S"/>
                  <bond atomRefs2="a14 a15" order="S"/>
                  <bond atomRefs2="a14 a16" order="S"/>
                  <bond atomRefs2="a14 a19" order="S"/>
                  <bond atomRefs2="a15 a16" order="S"/>
                  <bond atomRefs2="a15 a20" order="S"/>
                  <bond atomRefs2="a15 a19" order="S"/>
                  <bond atomRefs2="a15 a17" order="S"/>
                  <bond atomRefs2="a15 a22" order="S"/>
                  <bond atomRefs2="a16 a17" order="S"/>
                  <bond atomRefs2="a17 a22" order="S"/>
                  <bond atomRefs2="a17 a18" order="S"/>
                  <bond atomRefs2="a18 a30" order="S"/>
                  <bond atomRefs2="a18 a22" order="S"/>
                  <bond atomRefs2="a18 a23" order="S"/>
                  <bond atomRefs2="a19 a20" order="S"/>
                  <bond atomRefs2="a20 a32" order="S"/>
                  <bond atomRefs2="a20 a21" order="S"/>
                  <bond atomRefs2="a20 a22" order="S"/>
                  <bond atomRefs2="a21 a23" order="S"/>
                  <bond atomRefs2="a21 a34" order="S"/>
                  <bond atomRefs2="a21 a22" order="S"/>
                  <bond atomRefs2="a22 a23" order="S"/>
                  <bond atomRefs2="a22 a34" order="S"/>
                  <bond atomRefs2="a22 a30" order="S"/>
                  <bond atomRefs2="a23 a24" order="S"/>
                  <bond atomRefs2="a23 a34" order="S"/>
                  <bond atomRefs2="a24 a36" order="S"/>
                  <bond atomRefs2="a25 a27" order="S"/>
                  <bond atomRefs2="a25 a26" order="S"/>
                  <bond atomRefs2="a26 a27" order="S"/>
                  <bond atomRefs2="a26 a28" order="S"/>
                  <bond atomRefs2="a27 a32" order="S"/>
                  <bond atomRefs2="a27 a31" order="S"/>
                  <bond atomRefs2="a27 a28" order="S"/>
                  <bond atomRefs2="a28 a32" order="S"/>
                  <bond atomRefs2="a28 a29" order="S"/>
                  <bond atomRefs2="a28 a30" order="S"/>
                  <bond atomRefs2="a28 a39" order="S"/>
                  <bond atomRefs2="a29 a30" order="S"/>
                  <bond atomRefs2="a30 a32" order="S"/>
                  <bond atomRefs2="a30 a35" order="S"/>
                  <bond atomRefs2="a30 a34" order="S"/>
                  <bond atomRefs2="a31 a32" order="S"/>
                  <bond atomRefs2="a31 a33" order="S"/>
                  <bond atomRefs2="a32 a46" order="S"/>
                  <bond atomRefs2="a32 a34" order="S"/>
                  <bond atomRefs2="a32 a39" order="S"/>
                  <bond atomRefs2="a32 a33" order="S"/>
                  <bond atomRefs2="a33 a34" order="S"/>
                  <bond atomRefs2="a34 a35" order="S"/>
                  <bond atomRefs2="a34 a36" order="S"/>
                  <bond atomRefs2="a34 a46" order="S"/>
                  <bond atomRefs2="a35 a36" order="S"/>
                  <bond atomRefs2="a37 a38" order="S"/>
                  <bond atomRefs2="a38 a40" order="S"/>
                  <bond atomRefs2="a38 a39" order="S"/>
                  <bond atomRefs2="a38 a43" order="S"/>
                  <bond atomRefs2="a39 a44" order="S"/>
                  <bond atomRefs2="a39 a43" order="S"/>
                  <bond atomRefs2="a39 a40" order="S"/>
                  <bond atomRefs2="a39 a41" order="S"/>
                  <bond atomRefs2="a39 a46" order="S"/>
                  <bond atomRefs2="a40 a41" order="S"/>
                  <bond atomRefs2="a41 a42" order="S"/>
                  <bond atomRefs2="a41 a46" order="S"/>
                  <bond atomRefs2="a42 a46" order="S"/>
                  <bond atomRefs2="a42 a47" order="S"/>
                  <bond atomRefs2="a43 a44" order="S"/>
                  <bond atomRefs2="a44 a46" order="S"/>
                  <bond atomRefs2="a44 a45" order="S"/>
                  <bond atomRefs2="a45 a46" order="S"/>
                  <bond atomRefs2="a45 a47" order="S"/>
                  <bond atomRefs2="a46 a47" order="S"/>
                  <bond atomRefs2="a47 a48" order="S"/>
                  <bond atomRefs2="a49 a61" order="S"/>
                  <bond atomRefs2="a50 a59" order="S"/>
                  <bond atomRefs2="a51 a57" order="S"/>
                  <bond atomRefs2="a52 a57" order="S"/>
                  <bond atomRefs2="a53 a58" order="S"/>
                  <bond atomRefs2="a54 a58" order="S"/>
                  <bond atomRefs2="a55 a58" order="S"/>
                  <bond atomRefs2="a56 a60" order="S"/>
                  <bond atomRefs2="a56 a61" order="S"/>
                  <bond atomRefs2="a56 a59" order="S"/>
                  <bond atomRefs2="a57 a58" order="S"/>
                  <bond atomRefs2="a57 a59" order="S"/>
               </bondArray>
               <formula concise="C3H7NO2Zn48">
                  <atomArray count="3 7 1 2 48" elementType="C H N O Zn"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">3221.669600000003</scalar>
               </property>
            </molecule>
         </module>
      </module>
   </module>
</module>
