<?xml version="1.0" encoding="UTF-8"?>
<module xmlns="http://www.xml-cml.org/schema"
        xmlns:am="http://www.iochem-bd.org/dictionary/amber/"
        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:xi="http://www.w3.org/2001/XInclude"
        xmlns:xsd="http://www.w3.org/2001/XMLSchema"
        convention="convention:compchem"
        id="amber.log">
   <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">Amber</scalar>
               </parameter>
               <parameter dictRef="cc:programVersion">
                  <scalar dataType="xsd:string">20</scalar>
               </parameter>
               <parameter dictRef="cc:runDate">
                  <scalar dataType="xsd:date">2025-11-11T07:00:14.000</scalar>
               </parameter>
               <parameter dictRef="am:hardware">
                  <list cmlx:templateRef="gpu">
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">CUDA_VISIBLE_DEVICES</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">CUDA Capable Devices Detected</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">CUDA Device ID in use</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">CUDA Device Name</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">GeForce GTX 1070 Ti</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">CUDA Device Global Mem Size</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">8119 MB</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">CUDA Device Num Multiprocessors</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">19</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">CUDA Device Core Freq</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.68 GHz</scalar>
                     </list>
                  </list>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <parameterList>
               <parameter dictRef="am:section.name">
                  <scalar dataType="xsd:string">General flags</scalar>
               </parameter>
               <parameter dictRef="am:imin">
                  <scalar dataType="xsd:string">0</scalar>
               </parameter>
               <parameter dictRef="am:nmropt">
                  <scalar dataType="xsd:string">0</scalar>
               </parameter>
               <parameter dictRef="am:section.name">
                  <scalar dataType="xsd:string">Nature and format of input</scalar>
               </parameter>
               <parameter dictRef="am:ntx">
                  <scalar dataType="xsd:string">5</scalar>
               </parameter>
               <parameter dictRef="am:irest">
                  <scalar dataType="xsd:string">1</scalar>
               </parameter>
               <parameter dictRef="am:ntrx">
                  <scalar dataType="xsd:string">1</scalar>
               </parameter>
               <parameter dictRef="am:section.name">
                  <scalar dataType="xsd:string">Nature and format of output</scalar>
               </parameter>
               <parameter dictRef="am:ntxo">
                  <scalar dataType="xsd:string">2</scalar>
               </parameter>
               <parameter dictRef="am:ntpr">
                  <scalar dataType="xsd:string">100000</scalar>
               </parameter>
               <parameter dictRef="am:ntrx">
                  <scalar dataType="xsd:string">1</scalar>
               </parameter>
               <parameter dictRef="am:ntwr">
                  <scalar dataType="xsd:string">20000000</scalar>
               </parameter>
               <parameter dictRef="am:iwrap">
                  <scalar dataType="xsd:string">0</scalar>
               </parameter>
               <parameter dictRef="am:ntwx">
                  <scalar dataType="xsd:string">100000</scalar>
               </parameter>
               <parameter dictRef="am:ntwv">
                  <scalar dataType="xsd:string">0</scalar>
               </parameter>
               <parameter dictRef="am:ntwe">
                  <scalar dataType="xsd:string">0</scalar>
               </parameter>
               <parameter dictRef="am:ioutfm">
                  <scalar dataType="xsd:string">1</scalar>
               </parameter>
               <parameter dictRef="am:ntwprt">
                  <scalar dataType="xsd:string">0</scalar>
               </parameter>
               <parameter dictRef="am:idecomp">
                  <scalar dataType="xsd:string">0</scalar>
               </parameter>
               <parameter dictRef="am:rbornstat">
                  <scalar dataType="xsd:string">0</scalar>
               </parameter>
               <parameter dictRef="am:section.name">
                  <scalar dataType="xsd:string">Potential function</scalar>
               </parameter>
               <parameter dictRef="am:ntf">
                  <scalar dataType="xsd:string">2</scalar>
               </parameter>
               <parameter dictRef="am:ntb">
                  <scalar dataType="xsd:string">2</scalar>
               </parameter>
               <parameter dictRef="am:igb">
                  <scalar dataType="xsd:string">0</scalar>
               </parameter>
               <parameter dictRef="am:nsnb">
                  <scalar dataType="xsd:string">25</scalar>
               </parameter>
               <parameter dictRef="am:ipol">
                  <scalar dataType="xsd:string">0</scalar>
               </parameter>
               <parameter dictRef="am:gbsa">
                  <scalar dataType="xsd:string">0</scalar>
               </parameter>
               <parameter dictRef="am:iesp">
                  <scalar dataType="xsd:string">0</scalar>
               </parameter>
               <parameter dictRef="am:dielc">
                  <scalar dataType="xsd:string">1.00000</scalar>
               </parameter>
               <parameter dictRef="am:cut">
                  <scalar dataType="xsd:string">10.00000</scalar>
               </parameter>
               <parameter dictRef="am:intdiel">
                  <scalar dataType="xsd:string">1.00000</scalar>
               </parameter>
               <parameter dictRef="am:section.name">
                  <scalar dataType="xsd:string">Frozen or restrained atoms</scalar>
               </parameter>
               <parameter dictRef="am:ibelly">
                  <scalar dataType="xsd:string">0</scalar>
               </parameter>
               <parameter dictRef="am:ntr">
                  <scalar dataType="xsd:string">0</scalar>
               </parameter>
               <parameter dictRef="am:section.name">
                  <scalar dataType="xsd:string">Molecular dynamics</scalar>
               </parameter>
               <parameter dictRef="am:nstlim">
                  <scalar dataType="xsd:string">20000000</scalar>
               </parameter>
               <parameter dictRef="am:nscm">
                  <scalar dataType="xsd:string">1000</scalar>
               </parameter>
               <parameter dictRef="am:nrespa">
                  <scalar dataType="xsd:string">1</scalar>
               </parameter>
               <parameter dictRef="am:t">
                  <scalar dataType="xsd:string">0.00000</scalar>
               </parameter>
               <parameter dictRef="am:dt">
                  <scalar dataType="xsd:string">0.00200</scalar>
               </parameter>
               <parameter dictRef="am:vlimit">
                  <scalar dataType="xsd:string">-1.00000</scalar>
               </parameter>
               <parameter dictRef="am:section.name">
                  <scalar dataType="xsd:string">Langevin dynamics temperature regulation</scalar>
               </parameter>
               <parameter dictRef="am:temp0">
                  <scalar dataType="xsd:string">300.00000</scalar>
               </parameter>
               <parameter dictRef="am:tempi">
                  <scalar dataType="xsd:string">0.00000</scalar>
               </parameter>
               <parameter dictRef="am:gamma.ln">
                  <scalar dataType="xsd:string">2.00000</scalar>
               </parameter>
               <parameter dictRef="am:ig">
                  <scalar dataType="xsd:string">314574</scalar>
               </parameter>
               <parameter dictRef="am:section.name">
                  <scalar dataType="xsd:string">Pressure regulation</scalar>
               </parameter>
               <parameter dictRef="am:pres0">
                  <scalar dataType="xsd:string">1.00000</scalar>
               </parameter>
               <parameter dictRef="am:comp">
                  <scalar dataType="xsd:string">44.60000</scalar>
               </parameter>
               <parameter dictRef="am:taup">
                  <scalar dataType="xsd:string">1.00000</scalar>
               </parameter>
               <parameter dictRef="am:ntp">
                  <scalar dataType="xsd:string">1</scalar>
               </parameter>
               <parameter dictRef="am:mcbarint">
                  <scalar dataType="xsd:string">100</scalar>
               </parameter>
               <parameter dictRef="am:section.name">
                  <scalar dataType="xsd:string">SHAKE</scalar>
               </parameter>
               <parameter dictRef="am:ntc">
                  <scalar dataType="xsd:string">2</scalar>
               </parameter>
               <parameter dictRef="am:jfastw">
                  <scalar dataType="xsd:string">0</scalar>
               </parameter>
               <parameter dictRef="am:tol">
                  <scalar dataType="xsd:string">0.00001</scalar>
               </parameter>
            </parameterList>
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               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">86.25397324543309</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">86.2539732454521</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">86.2539732454466</scalar>
                  <scalar id="sc4" title="alpha" units="nonsi:degree">109.47</scalar>
                  <scalar id="sc5" title="beta" units="nonsi:degree">109.47</scalar>
                  <scalar id="sc6" title="gamma" units="nonsi:degree">109.47</scalar>
               </crystal>
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                        x3="23.4012261"
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                        y3="28.51810908"
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                        x3="24.75938982"
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                        y3="29.12431065"
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                        x3="19.90473727"
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                        yFract="0.95333564"
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                        x3="18.08290797"
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                        x3="19.44875486"
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                        y3="29.15404886"
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                        x3="20.20691163"
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                        yFract="0.84733307"
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                        x3="31.53136743"
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                        x3="30.57002017"
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                        y3="33.64336394"
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                  <scalar id="sc2" title="b" units="nonsi:angstrom">86.2539732454521</scalar>
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                  <scalar id="sc5" title="beta" units="nonsi:degree">109.471219</scalar>
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               </module>
               <module cmlx:templateRef="residue.pointer">
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48469 48472 48475 48478 48481 48484 48487 48490 48493 48496 48499 48502 48505 48508 48511 48514 48517 48520 48523 48526 48529 48532 48535 48538 48541 48544 48547 48550 48553 48556 48559 48562 48565 48568 48571 48574 48577 48580 48583 48586 48589 48592 48595 48598 48601 48604 48607 48610 48613 48616 48619 48622 48625 48628 48631 48634 48637 48640 48643 48646 48649 48652 48655 48658 48661 48664 48667 48670 48673 48676 48679 48682 48685 48688 48691 48694 48697 48700 48703 48706 48709 48712 48715 48718 48721 48724 48727 48730 48733 48736 48739 48742 48745 48748 48751 48754 48757 48760 48763 48766 48769 48772 48775 48778 48781 48784 48787 48790 48793 48796 48799 48802 48805 48808 48811 48814 48817 48820 48823 48826 48829 48832 48835 48838 48841 48844 48847 48850 48853 48856 48859 48862 48865 48868 48871 48874 48877 48880 48883 48886 48889 48892 48895 48898 48901 48904 48907 48910 48913 48916 48919 48922 48925 48928 48931 48934 48937 48940 48943 48946 48949 48952 48955 48958 48961 48964 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                  <scalar dictRef="residue.count">141</scalar>
                  <scalar dictRef="residue.atom.index">2304</scalar>
               </module>
               <module cmlx:templateRef="input.file" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="lines">
                     <scalar dataType="xsd:string" dictRef="cc:inputLine">Production</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:inputLine">&amp;cntrl</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:inputLine">imin=0,</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:inputLine">ntx=5,</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:inputLine">irest=1,</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:inputLine">nstlim=20000000,</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:inputLine">dt=0.002,</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:inputLine">ntf=2,</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:inputLine">ntc=2,</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:inputLine">temp0=300.0,</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:inputLine">ntpr=100000,</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:inputLine">ntwx=100000,</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:inputLine">cut=10.0,</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:inputLine">ntb=2,</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:inputLine">ntp=1,</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:inputLine">barostat=2,</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:inputLine">ntt=3,</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:inputLine">gamma_ln=2.0,</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:inputLine">ig=-1,</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:inputLine">/</scalar>
                  </list>
               </module>
               <module cmlx:templateRef="lattice">
                  <array dataType="xsd:double" dictRef="cc:lattice" size="3">86.25397324543309 0.0 0.0</array>
                  <array dataType="xsd:double" dictRef="cc:lattice" size="3">-28.75132209528594 81.32102666838564 0.0</array>
                  <array dataType="xsd:double" dictRef="cc:lattice" size="3">-28.751322095284106 -40.660508413014064 70.42607779789145</array>
               </module>
            </module>
         </module>
         <module dictRef="cc:calculation" id="calculation"/>
         <module dictRef="cc:finalization" id="finalization">
            <propertyList>
               <property dictRef="am:nstep">
                  <scalar dataType="xsd:integer">20000000</scalar>
               </property>
               <property dictRef="am:time">
                  <scalar dataType="xsd:double" units="nonsi:picoseconds">321030.000</scalar>
               </property>
               <property dictRef="am:temp">
                  <scalar dataType="xsd:double" units="nonsi:k">300.03</scalar>
               </property>
               <property dictRef="am:press">
                  <scalar dataType="xsd:double" units="nonsi2:bar">0.0</scalar>
               </property>
               <property dictRef="am:etot">
                  <scalar dataType="xsd:double" units="nonsi2:kcal.mol-1">-128901.9829</scalar>
               </property>
               <property dictRef="am:ektot">
                  <scalar dataType="xsd:double" units="nonsi2:kcal.mol-1">29671.7915</scalar>
               </property>
               <property dictRef="am:eptot">
                  <scalar dataType="xsd:double" units="nonsi2:kcal.mol-1">-158573.7744</scalar>
               </property>
               <property dictRef="am:bond">
                  <scalar dataType="xsd:double" units="nonsi2:kcal.mol-1">462.4584</scalar>
               </property>
               <property dictRef="am:angle">
                  <scalar dataType="xsd:double" units="nonsi2:kcal.mol-1">1418.1014</scalar>
               </property>
               <property dictRef="am:dihed">
                  <scalar dataType="xsd:double" units="nonsi2:kcal.mol-1">1754.8900</scalar>
               </property>
               <property dictRef="am:nb14">
                  <scalar dataType="xsd:double" units="nonsi2:kcal.mol-1">499.4037</scalar>
               </property>
               <property dictRef="am:eel14">
                  <scalar dataType="xsd:double" units="nonsi2:kcal.mol-1">7751.0142</scalar>
               </property>
               <property dictRef="am:vdwaals">
                  <scalar dataType="xsd:double" units="nonsi2:kcal.mol-1">21033.7182</scalar>
               </property>
               <property dictRef="am:eelec">
                  <scalar dataType="xsd:double" units="nonsi2:kcal.mol-1">-191493.3603</scalar>
               </property>
               <property dictRef="am:ehbond">
                  <scalar dataType="xsd:double" units="nonsi2:kcal.mol-1">0.0000</scalar>
               </property>
               <property dictRef="am:restraint">
                  <scalar dataType="xsd:double" units="nonsi2:kcal.mol-1">0.0000</scalar>
               </property>
               <property dictRef="am:ekcmt">
                  <scalar dataType="xsd:double" units="nonsi2:kcal.mol-1">0.0000</scalar>
               </property>
               <property dictRef="am:virial">
                  <scalar dataType="xsd:double" units="nonsi2:kcal.mol-1">0.0000</scalar>
               </property>
               <property dictRef="am:volume">
                  <scalar dataType="xsd:double">494514.3162</scalar>
               </property>
               <property dictRef="am:density">
                  <scalar dataType="xsd:double">1.0069</scalar>
               </property>
               <property dictRef="cc:elapsedtime">
                  <scalar dataType="xsd:double" units="si:s">36505.12</scalar>
               </property>
               <property dictRef="am:elapsedstep">
                  <scalar dataType="xsd:double" units="nonsi:milliseconds">1.83</scalar>
               </property>
               <property dictRef="am:nsperday">
                  <scalar dataType="xsd:double">94.67</scalar>
               </property>
               <property dictRef="am:secondsperns">
                  <scalar dataType="xsd:double">912.63</scalar>
               </property>
               <property dictRef="cc:wallTime">
                  <scalar dataType="xsd:integer" units="si:s">36524</scalar>
               </property>
               <property dictRef="cc:cpuTime">
                  <scalar dataType="xsd:double" units="si:s">35032.41</scalar>
               </property>
            </propertyList>
            <molecule id="finalization">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">86.25397324543309</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">86.2539732454521</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">86.2539732454466</scalar>
                  <scalar id="sc4" title="alpha" units="nonsi:degree">109.47</scalar>
                  <scalar id="sc5" title="beta" units="nonsi:degree">109.47</scalar>
                  <scalar id="sc6" title="gamma" units="nonsi:degree">109.47</scalar>
               </crystal>
               <atomArray>
                  <atom elementType="N"
                        id="a1"
                        x3="9.7382275"
                        xFract="0.81483989"
                        y3="25.66559322"
                        yFract="0.91234367"
                        z3="84.05146905"
                        zFract="1.19347082"/>
                  <atom elementType="H"
                        id="a2"
                        x3="10.5322694"
                        xFract="0.82472672"
                        y3="25.17137582"
                        yFract="0.90897306"
                        z3="84.43272122"
                        zFract="1.19888433"/>
                  <atom elementType="H"
                        id="a3"
                        x3="10.01911534"
                        xFract="0.81972393"
                        y3="26.58725708"
                        yFract="0.92152695"
                        z3="83.748585"
                        zFract="1.18917009"/>
                  <atom elementType="H"
                        id="a4"
                        x3="9.04499132"
                        xFract="0.81229293"
                        y3="25.73916502"
                        yFract="0.918437"
                        z3="84.78229788"
                        zFract="1.20384807"/>
                  <atom elementType="C"
                        id="a5"
                        x3="9.14526408"
                        xFract="0.79651278"
                        y3="24.92854807"
                        yFract="0.89484891"
                        z3="82.86389466"
                        zFract="1.17660812"/>
                  <atom elementType="H"
                        id="a6"
                        x3="8.78308555"
                        xFract="0.79094368"
                        y3="23.96649215"
                        yFract="0.88559189"
                        z3="83.2263532"
                        zFract="1.18175477"/>
                  <atom elementType="H"
                        id="a7"
                        x3="8.28036036"
                        xFract="0.78604769"
                        y3="25.47447266"
                        yFract="0.89888669"
                        z3="82.4870553"
                        zFract="1.17125727"/>
                  <atom elementType="C"
                        id="a8"
                        x3="10.23145513"
                        xFract="0.80111622"
                        y3="24.80789112"
                        yFract="0.88587027"
                        z3="81.8082173"
                        zFract="1.16161825"/>
                  <atom elementType="O"
                        id="a9"
                        x3="11.31913254"
                        xFract="0.81679935"
                        y3="25.21804036"
                        yFract="0.89230562"
                        z3="82.00425047"
                        zFract="1.16440178"/>
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                        x3="9.82196934"
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                        yFract="0.8718677"
                        z3="80.66000803"
                        zFract="1.1453145"/>
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                        id="a11"
                        x3="8.84833157"
                        xFract="0.77312857"
                        y3="24.09317273"
                        yFract="0.86805886"
                        z3="80.53737054"
                        zFract="1.14357313"/>
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                        id="a12"
                        x3="10.73163837"
                        xFract="0.7879123"
                        y3="24.28221583"
                        yFract="0.86255793"
                        z3="79.4351197"
                        zFract="1.12792196"/>
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                        id="a13"
                        x3="11.55564777"
                        xFract="0.79539094"
                        y3="23.57792825"
                        yFract="0.85470955"
                        z3="79.54952041"
                        zFract="1.12954637"/>
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                        id="a14"
                        x3="9.96689246"
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                        y3="23.74360393"
                        yFract="0.84687293"
                        z3="78.15875753"
                        zFract="1.10979853"/>
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                        id="a15"
                        x3="9.06942897"
                        xFract="0.75814171"
                        y3="24.32007329"
                        yFract="0.85236879"
                        z3="77.93438649"
                        zFract="1.10661262"/>
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                        id="a16"
                        x3="10.59703322"
                        xFract="0.76844877"
                        y3="23.65872742"
                        yFract="0.83954363"
                        z3="77.27341934"
                        zFract="1.09722736"/>
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                        id="a17"
                        x3="9.58355668"
                        xFract="0.75840194"
                        y3="22.24071697"
                        yFract="0.82962192"
                        z3="78.33199129"
                        zFract="1.11225832"/>
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                        id="a18"
                        x3="8.91818849"
                        xFract="0.75594436"
                        y3="22.0606212"
                        yFract="0.83340197"
                        z3="79.17635536"
                        zFract="1.12424769"/>
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                        id="a19"
                        x3="8.97596058"
                        xFract="0.74407754"
                        y3="21.94748996"
                        yFract="0.81993792"
                        z3="77.47586334"
                        zFract="1.10010192"/>
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                        id="a20"
                        x3="10.79816183"
                        xFract="0.76949448"
                        y3="21.28665014"
                        yFract="0.81881132"
                        z3="78.46178747"
                        zFract="1.11410134"/>
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                        id="a21"
                        x3="11.05683945"
                        xFract="0.77836716"
                        y3="20.82676335"
                        yFract="0.82091484"
                        z3="79.55462105"
                        zFract="1.12961879"/>
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                        id="a22"
                        x3="11.49476895"
                        xFract="0.76897695"
                        y3="20.8457371"
                        yFract="0.80660297"
                        z3="77.50589956"
                        zFract="1.10052841"/>
                  <atom elementType="C"
                        id="a23"
                        x3="11.33935357"
                        xFract="0.79783097"
                        y3="25.64790668"
                        yFract="0.87662683"
                        z3="79.05130872"
                        zFract="1.12247212"/>
                  <atom elementType="O"
                        id="a24"
                        x3="10.66410429"
                        xFract="0.79306799"
                        y3="26.66609952"
                        yFract="0.88803957"
                        z3="78.89525672"
                        zFract="1.12025629"/>
                  <atom elementType="N"
                        id="a25"
                        x3="12.58640727"
                        xFract="0.80949923"
                        y3="25.5811772"
                        yFract="0.87329011"
                        z3="78.69690381"
                        zFract="1.11743982"/>
                  <atom elementType="H"
                        id="a26"
                        x3="12.90976453"
                        xFract="0.8077226"
                        y3="24.65600792"
                        yFract="0.86018009"
                        z3="78.4527688"
                        zFract="1.11397328"/>
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                        id="a27"
                        x3="13.31087424"
                        xFract="0.81817374"
                        y3="26.70993847"
                        yFract="0.88281894"
                        z3="78.08398782"
                        zFract="1.10873685"/>
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                        id="a28"
                        x3="13.0874583"
                        xFract="0.82297086"
                        y3="27.65509778"
                        yFract="0.89795464"
                        z3="78.5788203"
                        zFract="1.11576312"/>
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                        id="a29"
                        x3="14.79071704"
                        xFract="0.83431001"
                        y3="26.41887576"
                        yFract="0.87941228"
                        z3="78.10828771"
                        zFract="1.10908189"/>
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                        id="a30"
                        x3="14.98744763"
                        xFract="0.82816487"
                        y3="25.640867"
                        yFract="0.86460822"
                        z3="77.37065526"
                        zFract="1.09860804"/>
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                        id="a31"
                        x3="15.49580846"
                        xFract="0.84260294"
                        y3="27.5748386"
                        yFract="0.88900715"
                        z3="77.45755996"
                        zFract="1.09984202"/>
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                        id="a32"
                        x3="16.56813395"
                        xFract="0.85531384"
                        y3="27.42511135"
                        yFract="0.88805841"
                        z3="77.58326231"
                        zFract="1.10162691"/>
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                        id="a33"
                        x3="15.31226462"
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                        id="a34"
                        x3="15.33501631"
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                        y3="28.51097227"
                        yFract="0.90431488"
                        z3="77.99225452"
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                        id="a35"
                        x3="15.35376441"
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                        y3="26.80471996"
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                        id="a42"
                        x3="12.67976688"
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                        y3="26.92812285"
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                        z3="76.68973143"
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                        x3="12.59786608"
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                        y3="28.11656534"
                        yFract="0.88703172"
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                        zFract="1.08256799"/>
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                        id="a44"
                        x3="12.03850129"
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                        y3="25.87933931"
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                        yFract="0.84828987"
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                        zFract="1.08375691"/>
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                        y3="26.1858947"
                        yFract="0.85360048"
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                        zFract="0.97027843"/>
                  <atom elementType="H"
                        id="a2282"
                        x3="24.93967533"
                        xFract="0.88641175"
                        y3="29.20610536"
                        yFract="0.83669995"
                        z3="67.26453981"
                        zFract="0.95510842"/>
                  <atom elementType="H"
                        id="a2283"
                        x3="23.4012261"
                        xFract="0.86936468"
                        y3="28.51810908"
                        yFract="0.83184899"
                        z3="67.77291608"
                        zFract="0.962327"/>
                  <atom elementType="H"
                        id="a2284"
                        x3="24.75938982"
                        xFract="0.89587289"
                        y3="29.12431065"
                        yFract="0.84758072"
                        z3="68.93879191"
                        zFract="0.9788816"/>
                  <atom elementType="H"
                        id="a2285"
                        x3="19.90473727"
                        xFract="0.84742336"
                        y3="32.66315712"
                        yFract="0.88442575"
                        z3="67.99903154"
                        zFract="0.96553768"/>
                  <atom elementType="H"
                        id="a2286"
                        x3="30.37718117"
                        xFract="0.98291718"
                        y3="37.16614832"
                        yFract="0.93542088"
                        z3="67.38239557"
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                  <atom elementType="H"
                        id="a2287"
                        x3="29.64771373"
                        xFract="0.96759989"
                        y3="37.90888784"
                        yFract="0.93464974"
                        z3="65.98731596"
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                  <atom elementType="H"
                        id="a2288"
                        x3="30.39798547"
                        xFract="0.98920138"
                        y3="38.95101486"
                        yFract="0.95609615"
                        z3="67.20307221"
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                  <atom elementType="H"
                        id="a2289"
                        x3="17.73543516"
                        xFract="0.83923928"
                        y3="37.43628172"
                        yFract="0.94052174"
                        z3="67.63297793"
                        zFract="0.96033998"/>
                  <atom elementType="H"
                        id="a2290"
                        x3="18.99298662"
                        xFract="0.85712915"
                        y3="38.59555422"
                        yFract="0.95333564"
                        z3="67.42992436"
                        zFract="0.95745676"/>
                  <atom elementType="H"
                        id="a2291"
                        x3="21.07826058"
                        xFract="0.84858968"
                        y3="29.01310374"
                        yFract="0.84206363"
                        z3="68.35431368"
                        zFract="0.97058243"/>
                  <atom elementType="H"
                        id="a2292"
                        x3="17.48231552"
                        xFract="0.83106141"
                        y3="34.35271128"
                        yFract="0.90999945"
                        z3="68.67474922"
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                  <atom elementType="H"
                        id="a2293"
                        x3="17.36051891"
                        xFract="0.82231224"
                        y3="35.16304546"
                        yFract="0.90930545"
                        z3="67.1734568"
                        zFract="0.95381511"/>
                  <atom elementType="H"
                        id="a2294"
                        x3="18.08290797"
                        xFract="0.82431093"
                        y3="33.54663069"
                        yFract="0.88967769"
                        z3="67.20855801"
                        zFract="0.95431352"/>
                  <atom elementType="H"
                        id="a2295"
                        x3="18.40769793"
                        xFract="0.86658553"
                        y3="37.64304079"
                        yFract="0.961769"
                        z3="70.26758362"
                        zFract="0.9977495"/>
                  <atom elementType="H"
                        id="a2296"
                        x3="17.33504329"
                        xFract="0.85275378"
                        y3="38.78630443"
                        yFract="0.96974568"
                        z3="69.41092544"
                        zFract="0.98558556"/>
                  <atom elementType="H"
                        id="a2297"
                        x3="18.96447393"
                        xFract="0.87599508"
                        y3="39.18059498"
                        yFract="0.97732829"
                        z3="69.79602037"
                        zFract="0.99105363"/>
                  <atom elementType="H"
                        id="a2298"
                        x3="19.44875486"
                        xFract="0.81766791"
                        y3="29.15404886"
                        yFract="0.83118927"
                        z3="66.57851319"
                        zFract="0.94536733"/>
                  <atom elementType="H"
                        id="a2299"
                        x3="20.20691163"
                        xFract="0.82927977"
                        y3="30.77905606"
                        yFract="0.84733307"
                        z3="66.03780574"
                        zFract="0.93768967"/>
                  <atom elementType="H"
                        id="a2300"
                        x3="31.53136743"
                        xFract="1.02937376"
                        y3="32.37169071"
                        yFract="0.92919142"
                        z3="74.80920823"
                        zFract="1.06223732"/>
                  <atom elementType="H"
                        id="a2301"
                        x3="30.57002017"
                        xFract="1.03033075"
                        y3="33.64336394"
                        yFract="0.95171909"
                        z3="75.77967584"
                        zFract="1.07601727"/>
                  <atom elementType="H"
                        id="a2302"
                        x3="32.31751655"
                        xFract="1.04771168"
                        y3="33.77267507"
                        yFract="0.94990021"
                        z3="75.29950983"
                        zFract="1.06919925"/>
                  <atom elementType="H"
                        id="a2303"
                        x3="26.98122823"
                        xFract="0.98086338"
                        y3="38.0845435"
                        yFract="0.9802676"
                        z3="72.10844654"
                        zFract="1.02388843"/>
               </atomArray>
               <bondArray/>
               <formula concise="C781H1084N192O242Zn4">
                  <atomArray count="781 1084 192 242 4" elementType="C H N O Zn"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">16203.133900000274</scalar>
               </property>
            </molecule>
         </module>
      </module>
   </module>
</module>
