<?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 Oct 02 2019 15:04:02) complex</scalar>
               </parameter>
               <parameter dictRef="v:platform">
                  <scalar dataType="xsd:string">LinuxIFC</scalar>
               </parameter>
               <parameter dictRef="cc:rundate">
                  <scalar dataType="xsd:date">2022-11-07T17:34:45.000</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
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                  <scalar id="sc2" title="b" units="nonsi:angstrom">11.95879795166454</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">24.471748</scalar>
                  <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                  <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                  <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
               </crystal>
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                        yFract="0.4932095"
                        z3="4.39148811"
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                        zFract="0.050006"/>
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                  <bond atomRefs2="a50 a78" order="S"/>
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                  <bond atomRefs2="a50 a65" order="S"/>
                  <bond atomRefs2="a51 a55" order="S"/>
                  <bond atomRefs2="a51 a64" order="S"/>
                  <bond atomRefs2="a51 a61" order="S"/>
                  <bond atomRefs2="a51 a56" order="S"/>
                  <bond atomRefs2="a51 a59" order="S"/>
                  <bond atomRefs2="a52 a55" order="S"/>
                  <bond atomRefs2="a52 a63" order="S"/>
                  <bond atomRefs2="a52 a58" order="S"/>
                  <bond atomRefs2="a52 a59" order="S"/>
                  <bond atomRefs2="a52 a73" order="S"/>
                  <bond atomRefs2="a52 a57" order="S"/>
                  <bond atomRefs2="a52 a64" order="S"/>
                  <bond atomRefs2="a52 a56" order="S"/>
                  <bond atomRefs2="a52 a93" order="S"/>
                  <bond atomRefs2="a52 a89" order="S"/>
                  <bond atomRefs2="a53 a73" order="S"/>
                  <bond atomRefs2="a53 a90" order="S"/>
                  <bond atomRefs2="a53 a91" order="S"/>
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                  <bond atomRefs2="a54 a57" order="S"/>
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                  <bond atomRefs2="a55 a92" order="S"/>
                  <bond atomRefs2="a55 a58" order="S"/>
                  <bond atomRefs2="a55 a64" order="S"/>
                  <bond atomRefs2="a55 a116" order="S"/>
                  <bond atomRefs2="a56 a61" order="S"/>
                  <bond atomRefs2="a56 a59" order="S"/>
                  <bond atomRefs2="a56 a93" order="S"/>
                  <bond atomRefs2="a56 a74" order="S"/>
                  <bond atomRefs2="a56 a63" order="S"/>
                  <bond atomRefs2="a57 a63" order="S"/>
                  <bond atomRefs2="a57 a94" order="S"/>
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                  <bond atomRefs2="a62 a69" order="S"/>
                  <bond atomRefs2="a62 a79" order="S"/>
                  <bond atomRefs2="a62 a106" order="S"/>
                  <bond atomRefs2="a63 a72" order="S"/>
                  <bond atomRefs2="a63 a73" order="S"/>
                  <bond atomRefs2="a64 a108" order="S"/>
                  <bond atomRefs2="a65 a75" order="S"/>
                  <bond atomRefs2="a65 a78" order="S"/>
                  <bond atomRefs2="a66 a69" order="S"/>
                  <bond atomRefs2="a66 a79" order="S"/>
                  <bond atomRefs2="a66 a78" order="S"/>
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                  <bond atomRefs2="a66 a71" order="S"/>
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                  <bond atomRefs2="a67 a68" order="S"/>
                  <bond atomRefs2="a67 a94" order="S"/>
                  <bond atomRefs2="a67 a88" order="S"/>
                  <bond atomRefs2="a67 a96" order="S"/>
                  <bond atomRefs2="a67 a71" order="S"/>
                  <bond atomRefs2="a67 a86" order="S"/>
                  <bond atomRefs2="a68 a76" order="S"/>
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                  <bond atomRefs2="a68 a71" order="S"/>
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                  <bond atomRefs2="a70 a85" order="S"/>
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                  <bond atomRefs2="a71 a78" order="S"/>
                  <bond atomRefs2="a71 a75" order="S"/>
                  <bond atomRefs2="a71 a76" order="S"/>
                  <bond atomRefs2="a74 a77" order="S"/>
                  <bond atomRefs2="a74 a93" order="S"/>
                  <bond atomRefs2="a74 a85" order="S"/>
                  <bond atomRefs2="a74 a78" order="S"/>
                  <bond atomRefs2="a75 a78" order="S"/>
                  <bond atomRefs2="a76 a80" order="S"/>
                  <bond atomRefs2="a76 a78" order="S"/>
                  <bond atomRefs2="a76 a94" order="S"/>
                  <bond atomRefs2="a76 a86" order="S"/>
                  <bond atomRefs2="a76 a93" order="S"/>
                  <bond atomRefs2="a77 a85" order="S"/>
                  <bond atomRefs2="a79 a92" order="S"/>
                  <bond atomRefs2="a79 a85" order="S"/>
                  <bond atomRefs2="a79 a116" order="S"/>
                  <bond atomRefs2="a80 a88" order="S"/>
                  <bond atomRefs2="a80 a94" order="S"/>
                  <bond atomRefs2="a80 a91" order="S"/>
                  <bond atomRefs2="a81 a84" order="S"/>
                  <bond atomRefs2="a81 a87" order="S"/>
                  <bond atomRefs2="a81 a95" order="S"/>
                  <bond atomRefs2="a81 a94" order="S"/>
                  <bond atomRefs2="a81 a96" order="S"/>
                  <bond atomRefs2="a81 a90" order="S"/>
                  <bond atomRefs2="a81 a86" order="S"/>
                  <bond atomRefs2="a81 a89" order="S"/>
                  <bond atomRefs2="a82 a90" order="S"/>
                  <bond atomRefs2="a82 a83" order="S"/>
                  <bond atomRefs2="a82 a96" order="S"/>
                  <bond atomRefs2="a83 a91" order="S"/>
                  <bond atomRefs2="a83 a90" order="S"/>
                  <bond atomRefs2="a83 a96" order="S"/>
                  <bond atomRefs2="a83 a88" order="S"/>
                  <bond atomRefs2="a84 a92" order="S"/>
                  <bond atomRefs2="a84 a95" order="S"/>
                  <bond atomRefs2="a84 a87" order="S"/>
                  <bond atomRefs2="a84 a106" order="S"/>
                  <bond atomRefs2="a86 a89" order="S"/>
                  <bond atomRefs2="a86 a93" order="S"/>
                  <bond atomRefs2="a86 a92" order="S"/>
                  <bond atomRefs2="a86 a94" order="S"/>
                  <bond atomRefs2="a87 a95" order="S"/>
                  <bond atomRefs2="a87 a111" order="S"/>
                  <bond atomRefs2="a88 a94" order="S"/>
                  <bond atomRefs2="a88 a96" order="S"/>
                  <bond atomRefs2="a88 a91" order="S"/>
                  <bond atomRefs2="a89 a93" order="S"/>
                  <bond atomRefs2="a89 a92" order="S"/>
                  <bond atomRefs2="a89 a94" order="S"/>
                  <bond atomRefs2="a90 a91" order="S"/>
                  <bond atomRefs2="a90 a96" order="S"/>
                  <bond atomRefs2="a90 a94" order="S"/>
                  <bond atomRefs2="a91 a94" order="S"/>
                  <bond atomRefs2="a92 a95" order="S"/>
                  <bond atomRefs2="a92 a93" order="S"/>
                  <bond atomRefs2="a94 a96" order="S"/>
                  <bond atomRefs2="a95 a109" order="S"/>
                  <bond atomRefs2="a97 a102" order="S"/>
                  <bond atomRefs2="a97 a99" order="S"/>
                  <bond atomRefs2="a97 a115" order="S"/>
                  <bond atomRefs2="a98 a104" order="S"/>
                  <bond atomRefs2="a98 a118" order="S"/>
                  <bond atomRefs2="a98 a112" order="S"/>
                  <bond atomRefs2="a98 a113" order="S"/>
                  <bond atomRefs2="a99 a101" order="S"/>
                  <bond atomRefs2="a99 a107" order="S"/>
                  <bond atomRefs2="a100 a103" order="S"/>
                  <bond atomRefs2="a100 a117" order="S"/>
                  <bond atomRefs2="a101 a114" order="S"/>
                  <bond atomRefs2="a102 a104" order="S"/>
                  <bond atomRefs2="a103 a119" order="S"/>
                  <bond atomRefs2="a105 a121" order="S"/>
               </bondArray>
               <formula concise="C8H16Au96O">
                  <atomArray count="8 16 96 1" elementType="C H Au O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">19020.873799999972</scalar>
               </property>
               <formula convention="iupac:inchi"
                        inline="InChI=1S/C6H6.C2H2.96Au.HO.7H/c1-3-5-6-4-2;1-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h1,3,5H,2H3;1-2H;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;1H;;;;;;;">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:101,98,99,104,97,102;100,103;1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55;56;57;58;59;60;61;62;63;64;65;66;67;68;69;70;71;72;73;74;75;76;77;78;79;80;81;82;83;84;85;86;87;88;89;90;91;92;93;94;95;96;121;106;108;109;110;111;116;120/E:;(1,2);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.2,3.3,4.2,5.3,6.2;1.2,2.2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;1.1;;;;;;;/rA:121AuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuC3CC3C2C2C2C2C2HH2HH2H2H3HHHHHH3HHHH0O1/rB:;s2;;;s2s3;s4;s1s3s6;s5;s2s3s6;s2;s4s5s6s7s9s10;s4s7s12;s2s6;s3s10;s11;s11;s16;s2s10s12s16;s11s17;s4s5s9s13;;s2s3s11s15s20;s1s5s6s8s9s10s12;s14s22;s16s18;s22s25;s15s20s23;s7s13s18s19;s9s10s12s19s29;s2s10s11s15s16s19s23s28;s16s18s26s29;s3s6s8s14;;s34;s16s19s29s30s31;s14s25;s11s16s17s20s28s31;s14s25s34s35;s22s25s27;s14s33s34s39;s2s6s12s14s19s25s37;s2s11s14s25s34s35s39;s2s3s14s23s33s34s41s43;s4s7s22s27s37s42;s5s6s12s37s42s45;s34s35;s17s20s47;s1s3s8s10s15s24;s34s35s47;s18s22s26s40;;;s47s48s53;s51s52;s25s35s43s51s52;s35s47s52s53s54;s52s55;s11s16s17s51s52s56;s5s9s21;s2s11s16s19s25s42s43s51s56s59;;s11s17s35s43s47s48s52s56s57s59;s51s52s55s58;s34s39s41s50;s62;;s50s67;s62s66;s66;s66s67s68;s11s20s23s34s43s44s47s48s63;s17s48s52s53s54s57s63;s25s35s39s56s66s70;s50s65s68s71;s35s50s57s66s67s68s71;s25s37s39s70s74;s35s39s50s65s66s70s71s74s75s76;s62s66s69;s47s50s54s57s68s76;;;s82;s81;s27s40s69s70s74s77s79;s66s67s76s81;s81s84;s67s68s80s83;s52s53s57s81s86;s53s81s82s83;s53s54s80s83s88s90;s55s58s62s79s84s86s89;s35s52s56s57s66s74s76s86s89s92;s53s57s67s76s80s81s86s88s89s90s91;s81s84s87s92;s67s81s82s83s88s90s94;;;s97;;s99;s97;s100;s98s102;;s62s84;s99;s26s64;s58s95;s7s18s22;s87;s98;s98;s101;s97;s40s55s79;s100;s98;s103;;s105;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
               </formula>
            </molecule>
            <parameterList>
               <parameter dictRef="v:ispin">
                  <scalar dataType="xsd:integer">2</scalar>
               </parameter>
               <parameter dictRef="v:energyCutoff">
                  <scalar dataType="xsd:integer" units="nonsi:electronvolt">500</scalar>
               </parameter>
               <parameter dictRef="v:ediff">
                  <scalar dataType="xsd:double">0.1E-05</scalar>
               </parameter>
               <parameter dictRef="v:ediffg">
                  <scalar dataType="xsd:double">-.1E-01</scalar>
               </parameter>
               <parameter dictRef="v:ibrion">
                  <scalar dataType="xsd:integer">5</scalar>
               </parameter>
               <parameter dictRef="v:potim">
                  <scalar dataType="xsd:double">0.0200</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">1110.0000</scalar>
               </parameter>
               <parameter dictRef="v:nupdown">
                  <scalar dataType="xsd:double">-1.0000</scalar>
               </parameter>
               <parameter dictRef="v:ismear">
                  <scalar dataType="xsd:integer">1</scalar>
               </parameter>
               <parameter dictRef="v:sigma">
                  <scalar dataType="xsd:double">0.20</scalar>
               </parameter>
               <parameter dictRef="v:ldipol">
                  <scalar dataType="xsd:string">F</scalar>
               </parameter>
               <parameter dictRef="v:idipol">
                  <scalar dataType="xsd:integer">0</scalar>
               </parameter>
               <parameter dictRef="v:gga">
                  <scalar dataType="xsd:string">BF</scalar>
               </parameter>
               <parameter dictRef="v:lexch">
                  <scalar dataType="xsd:string">17</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>
            </parameterList>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="potcar" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:string"
                         delimiter="|"
                         dictRef="v:pseudopotential"
                         size="4">PAW_PBE Au 06Sep2000|PAW_PBE C 08Apr2002|PAW_PBE H 15Jun2001|PAW_PBE O 08Apr2002</array>
                  <array dictRef="cc:atomType" size="4">Au C H O</array>
                  <array dataType="xsd:double" dictRef="cc:mass" size="4">196.966 12.011 1.000 16.000</array>
                  <array dataType="xsd:double" dictRef="cc:valence" size="4">11.000 4.000 1.000 6.000</array>
                  <array dataType="xsd:integer" dictRef="cc:atomcount" size="4">96 8 16 1</array>
               </module>
               <module cmlx:templateRef="kpoints"
                       dictRef="cc:userDefinedModule"
                       id="vasp.kpoints">
                  <scalar dataType="xsd:string" dictRef="v:comment">K-Points file</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 5 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="8">1 2 3 4 5 6 7 8</array>
                     <array dataType="xsd:double" dictRef="cc:eigen" size="6400">-22.1949 -17.9803 -16.0412 -15.1426 -14.6455 -12.5579 -11.5088 -10.8124 -9.6086 -9.3576 -9.1681 -9.0743 -8.9908 -8.9880 -8.7050 -8.6970 -8.6822 -8.4832 -8.4806 -8.0850 -8.0829 -8.0673 -7.9907 -7.9176 -7.8409 -7.6708 -7.4860 -7.4802 -7.4668 -7.4648 -7.4381 -7.3665 -7.3606 -7.3580 -7.3010 -7.2666 -7.2636 -7.1610 -7.1541 -7.1513 -7.1314 -7.1296 -7.1268 -7.0929 -6.9904 -6.9894 -6.9798 -6.9482 -6.9450 -6.9185 -6.8883 -6.8845 -6.8840 -6.8654 -6.8634 -6.8559 -6.8538 -6.8460 -6.8427 -6.8375 -6.8362 -6.7665 -6.7637 -6.7589 -6.7566 -6.7534 -6.7498 -6.7476 -6.7342 -6.7328 -6.6798 -6.6784 -6.6642 -6.6399 -6.6285 -6.6277 -6.6226 -6.6216 -6.6137 -6.6125 -6.6021 -6.5991 -6.5876 -6.5831 -6.5815 -6.5648 -6.5597 -6.5488 -6.5464 -6.5451 -6.5440 -6.5352 -6.5320 -6.5174 -6.5162 -6.4616 -6.4600 -6.4202 -6.4174 -6.3913 -6.3866 -6.3849 -6.3717 -6.3701 -6.3457 -6.3219 -6.3072 -6.3052 -6.2923 -6.2859 -6.2522 -6.2499 -6.2479 -6.2256 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                  <bond atomRefs2="a75 a78" order="S"/>
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                  <bond atomRefs2="a81 a96" order="S"/>
                  <bond atomRefs2="a81 a90" order="S"/>
                  <bond atomRefs2="a81 a86" order="S"/>
                  <bond atomRefs2="a81 a89" order="S"/>
                  <bond atomRefs2="a82 a90" order="S"/>
                  <bond atomRefs2="a82 a96" order="S"/>
                  <bond atomRefs2="a82 a83" order="S"/>
                  <bond atomRefs2="a83 a91" order="S"/>
                  <bond atomRefs2="a83 a90" order="S"/>
                  <bond atomRefs2="a83 a88" order="S"/>
                  <bond atomRefs2="a83 a96" order="S"/>
                  <bond atomRefs2="a84 a92" order="S"/>
                  <bond atomRefs2="a84 a95" order="S"/>
                  <bond atomRefs2="a84 a87" order="S"/>
                  <bond atomRefs2="a84 a106" order="S"/>
                  <bond atomRefs2="a86 a89" order="S"/>
                  <bond atomRefs2="a86 a93" order="S"/>
                  <bond atomRefs2="a86 a92" order="S"/>
                  <bond atomRefs2="a86 a94" order="S"/>
                  <bond atomRefs2="a87 a95" order="S"/>
                  <bond atomRefs2="a87 a111" order="S"/>
                  <bond atomRefs2="a88 a94" order="S"/>
                  <bond atomRefs2="a88 a91" order="S"/>
                  <bond atomRefs2="a88 a96" order="S"/>
                  <bond atomRefs2="a89 a93" order="S"/>
                  <bond atomRefs2="a89 a92" order="S"/>
                  <bond atomRefs2="a89 a94" order="S"/>
                  <bond atomRefs2="a90 a96" order="S"/>
                  <bond atomRefs2="a90 a94" order="S"/>
                  <bond atomRefs2="a90 a91" order="S"/>
                  <bond atomRefs2="a91 a94" order="S"/>
                  <bond atomRefs2="a92 a95" order="S"/>
                  <bond atomRefs2="a92 a93" order="S"/>
                  <bond atomRefs2="a94 a96" order="S"/>
                  <bond atomRefs2="a95 a109" order="S"/>
                  <bond atomRefs2="a97 a102" order="S"/>
                  <bond atomRefs2="a97 a99" order="S"/>
                  <bond atomRefs2="a97 a115" order="S"/>
                  <bond atomRefs2="a98 a104" order="S"/>
                  <bond atomRefs2="a98 a118" order="S"/>
                  <bond atomRefs2="a98 a112" order="S"/>
                  <bond atomRefs2="a98 a113" order="S"/>
                  <bond atomRefs2="a99 a101" order="S"/>
                  <bond atomRefs2="a99 a107" order="S"/>
                  <bond atomRefs2="a100 a103" order="S"/>
                  <bond atomRefs2="a100 a117" order="S"/>
                  <bond atomRefs2="a101 a114" order="S"/>
                  <bond atomRefs2="a102 a104" order="S"/>
                  <bond atomRefs2="a103 a119" order="S"/>
                  <bond atomRefs2="a105 a121" order="S"/>
               </bondArray>
               <formula concise="C8H16Au96O">
                  <atomArray count="8 16 96 1" elementType="C H Au O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">19020.873799999972</scalar>
               </property>
               <formula convention="iupac:inchi"
                        inline="InChI=1S/C6H6.C2H2.96Au.HO.7H/c1-3-5-6-4-2;1-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h1,3,5H,2H3;1-2H;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;1H;;;;;;;">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:101,98,99,104,97,102;100,103;1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55;56;57;58;59;60;61;62;63;64;65;66;67;68;69;70;71;72;73;74;75;76;77;78;79;80;81;82;83;84;85;86;87;88;89;90;91;92;93;94;95;96;121;106;108;109;110;111;116;120/E:;(1,2);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.2,3.3,4.2,5.3,6.2;1.2,2.2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;1.1;;;;;;;/rA:121AuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuC3CC3C2C2C2C2C2HH2HH2H2H3HHHHHH3HHHH0O1/rB:;s2;;;s2s3;s4;s1s3s6;s5;s2s3s6;s2;s4s5s6s7s9s10;s4s7s12;s2s6;s3s10;s11;s11;s16;s2s10s12s16;s11s17;s4s5s9s13;;s2s3s11s15s20;s1s5s6s8s9s10s12;s14s22;s16s18;s22s25;s15s20s23;s7s13s18s19;s9s10s12s19s29;s2s10s11s15s16s19s23s28;s16s18s26s29;s3s6s8s14;;s34;s16s19s29s30s31;s14s25;s11s16s17s20s28s31;s14s25s34s35;s22s25s27;s14s33s34s39;s2s6s12s14s19s25s37;s2s11s14s25s34s35s39;s2s3s14s23s33s34s41s43;s4s7s22s27s37s42;s5s6s12s37s42s45;s34s35;s17s20s47;s1s3s8s10s15s24;s34s35s47;s18s22s26s40;;;s47s48s53;s51s52;s25s35s43s51s52;s35s47s52s53s54;s52s55;s11s16s17s51s52s56;s5s9s21;s2s11s16s19s25s42s43s51s56s59;;s11s17s35s43s47s48s52s56s57s59;s51s52s55s58;s34s39s41s50;s62;;s50s67;s62s66;s66;s66s67s68;s11s20s23s34s43s44s47s48s63;s17s48s52s53s54s57s63;s25s35s39s56s66s70;s50s65s68s71;s35s50s57s66s67s68s71;s25s37s39s70s74;s35s39s50s65s66s70s71s74s75s76;s62s66s69;s47s50s54s57s68s76;;;s82;s81;s27s40s69s70s74s77s79;s66s67s76s81;s81s84;s67s68s80s83;s52s53s57s81s86;s53s81s82s83;s53s54s80s83s88s90;s55s58s62s79s84s86s89;s35s52s56s57s66s74s76s86s89s92;s53s57s67s76s80s81s86s88s89s90s91;s81s84s87s92;s67s81s82s83s88s90s94;;;s97;;s99;s97;s100;s98s102;;s62s84;s99;s26s64;s58s95;s7s18s22;s87;s98;s98;s101;s97;s40s55s79;s100;s98;s103;;s105;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
               </formula>
            </molecule>
         </module>
      </module>
   </module>
</module>
